N-(7-bromo-1,5-naphthyridin-2-yl)-5-cyclopentyl-N-(2-trimethylsilylethoxymethyl)-1,3,4-thiadiazol-2-amine;2-N-(5-cyclopentyl-1,3,4-thiadiazol-2-yl)-7-N-pyridazin-3-yl-1,5-naphthyridine-2,7-diamine;2-N-(5-cyclopentyl-1,3,4-thiadiazol-2-yl)-7-N-pyridazin-3-yl-2-N-(2-trimethylsilylethoxymethyl)-1,5-naphthyridine-2,7-diamine;pyridazin-3-amine

C69H83BrN24O2S3Si2 — CID 161116128

IUPACN-(7-bromo-1,5-naphthyridin-2-yl)-5-cyclopentyl-N-(2-trimethylsilylethoxymethyl)-1,3,4-thiadiazol-2-amine;2-N-(5-cyclopentyl-1,3,4-thiadiazol-2-yl)-7-N-pyridazin-3-yl-1,5-naphthyridine-2,7-diamine;2-N-(5-cyclopentyl-1,3,4-thiadiazol-2-yl)-7-N-pyridazin-3-yl-2-N-(2-trimethylsilylethoxymethyl)-1,5-naphthyridine-2,7-diamine;pyridazin-3-amine
SMILESC[Si](C)(C)CCOCN(c1ccc2ncc(Br)cc2n1)c1nnc(C2CCCC2)s1.C[Si](C)(C)CCOCN(c1ccc2ncc(Nc3cccnn3)cc2n1)c1nnc(C2CCCC2)s1.Nc1cccnn1.c1cnnc(Nc2cnc3ccc(Nc4nnc(C5CCCC5)s4)nc3c2)c1
InChIInChI=1S/C25H32N8OSSi.C21H28BrN5OSSi.C19H18N8S.C4H5N3/c1-36(2,3)14-13-34-17-33(25-32-31-24(35-25)18-7-4-5-8-18)23-11-10-20-21(29-23)15-19(16-26-20)28-22-9-6-12-27-30-22;1-30(2,3)11-10-28-14-27(21-26-25-20(29-21)15-6-4-5-7-15)19-9-8-17-18(24-19)12-16(22)13-23-17;1-2-5-12(4-1)18-26-27-19(28-18)24-16-8-7-14-15(23-16)10-13(11-20-14)22-17-6-3-9-21-25-17;5-4-2-1-3-6-7-4/h6,9-12,15-16,18H,4-5,7-8,13-14,17H2,1-3H3,(H,28,30);8-9,12-13,15H,4-7,10-11,14H2,1-3H3;3,6-12H,1-2,4-5H2,(H,22,25)(H,23,24,27);1-3H,(H2,5,7)
InChIKeyUKIKLEDAVVFRNH-UHFFFAOYSA-N
MW1512.87 g/mol
LogP16.95
Rot. Bonds23

About N-(7-bromo-1,5-naphthyridin-2-yl)-5-cyclopentyl-N-(2-trimethylsilylethoxymethyl)-1,3,4-thiadiazol-2-amine;2-N-(5-cyclopentyl-1,3,4-thiadiazol-2-yl)-7-N-pyridazin-3-yl-1,5-naphthyridine-2,7-diamine;2-N-(5-cyclopentyl-1,3,4-thiadiazol-2-yl)-7-N-pyridazin-3-yl-2-N-(2-trimethylsilylethoxymethyl)-1,5-naphthyridine-2,7-diamine;pyridazin-3-amine

N-(7-bromo-1,5-naphthyridin-2-yl)-5-cyclopentyl-N-(2-trimethylsilylethoxymethyl)-1,3,4-thiadiazol-2-amine;2-N-(5-cyclopentyl-1,3,4-thiadiazol-2-yl)-7-N-pyridazin-3-yl-1,5-naphthyridine-2,7-diamine;2-N-(5-cyclopentyl-1,3,4-thiadiazol-2-yl)-7-N-pyridazin-3-yl-2-N-(2-trimethylsilylethoxymethyl)-1,5-naphthyridine-2,7-diamine;pyridazin-3-amine (PubChem CID 161116128) has the molecular formula C69H83BrN24O2S3Si2 and a molecular weight of 1512.87 g/mol. Its IUPAC name is N-(7-bromo-1,5-naphthyridin-2-yl)-5-cyclopentyl-N-(2-trimethylsilylethoxymethyl)-1,3,4-thiadiazol-2-amine;2-N-(5-cyclopentyl-1,3,4-thiadiazol-2-yl)-7-N-pyridazin-3-yl-1,5-naphthyridine-2,7-diamine;2-N-(5-cyclopentyl-1,3,4-thiadiazol-2-yl)-7-N-pyridazin-3-yl-2-N-(2-trimethylsilylethoxymethyl)-1,5-naphthyridine-2,7-diamine;pyridazin-3-amine.

Molecular Properties

Compound NameN-(7-bromo-1,5-naphthyridin-2-yl)-5-cyclopentyl-N-(2-trimethylsilylethoxymethyl)-1,3,4-thiadiazol-2-amine;2-N-(5-cyclopentyl-1,3,4-thiadiazol-2-yl)-7-N-pyridazin-3-yl-1,5-naphthyridine-2,7-diamine;2-N-(5-cyclopentyl-1,3,4-thiadiazol-2-yl)-7-N-pyridazin-3-yl-2-N-(2-trimethylsilylethoxymethyl)-1,5-naphthyridine-2,7-diamine;pyridazin-3-amine
PubChem CID161116128
Molecular FormulaC69H83BrN24O2S3Si2
Molecular Weight1512.87 g/mol
Exact Mass1510.50
IUPAC NameN-(7-bromo-1,5-naphthyridin-2-yl)-5-cyclopentyl-N-(2-trimethylsilylethoxymethyl)-1,3,4-thiadiazol-2-amine;2-N-(5-cyclopentyl-1,3,4-thiadiazol-2-yl)-7-N-pyridazin-3-yl-1,5-naphthyridine-2,7-diamine;2-N-(5-cyclopentyl-1,3,4-thiadiazol-2-yl)-7-N-pyridazin-3-yl-2-N-(2-trimethylsilylethoxymethyl)-1,5-naphthyridine-2,7-diamine;pyridazin-3-amine
SMILESC[Si](C)(C)CCOCN(c1ccc2ncc(Br)cc2n1)c1nnc(C2CCCC2)s1.C[Si](C)(C)CCOCN(c1ccc2ncc(Nc3cccnn3)cc2n1)c1nnc(C2CCCC2)s1.Nc1cccnn1.c1cnnc(Nc2cnc3ccc(Nc4nnc(C5CCCC5)s4)nc3c2)c1
InChIInChI=1S/C25H32N8OSSi.C21H28BrN5OSSi.C19H18N8S.C4H5N3/c1-36(2,3)14-13-34-17-33(25-32-31-24(35-25)18-7-4-5-8-18)23-11-10-20-21(29-23)15-19(16-26-20)28-22-9-6-12-27-30-22;1-30(2,3)11-10-28-14-27(21-26-25-20(29-21)15-6-4-5-7-15)19-9-8-17-18(24-19)12-16(22)13-23-17;1-2-5-12(4-1)18-26-27-19(28-18)24-16-8-7-14-15(23-16)10-13(11-20-14)22-17-6-3-9-21-25-17;5-4-2-1-3-6-7-4/h6,9-12,15-16,18H,4-5,7-8,13-14,17H2,1-3H3,(H,28,30);8-9,12-13,15H,4-7,10-11,14H2,1-3H3;3,6-12H,1-2,4-5H2,(H,22,25)(H,23,24,27);1-3H,(H2,5,7)
InChIKeyUKIKLEDAVVFRNH-UHFFFAOYSA-N
XLogP16.95
TPSA319.07 Ų
H-Bond Donors4
H-Bond Acceptors29
Rotatable Bonds23
Heavy Atoms101
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5001512.87
LogP ≤ 516.95
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 1029

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'heavy_metal', 'substructure': 'N/A'}, {'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}

Analyze N-(7-bromo-1,5-naphthyridin-2-yl)-5-cyclopentyl-N-(2-trimethylsilylethoxymethyl)-1,3,4-thiadiazol-2-amine;2-N-(5-cyclopentyl-1,3,4-thiadiazol-2-yl)-7-N-pyridazin-3-yl-1,5-naphthyridine-2,7-diamine;2-N-(5-cyclopentyl-1,3,4-thiadiazol-2-yl)-7-N-pyridazin-3-yl-2-N-(2-trimethylsilylethoxymethyl)-1,5-naphthyridine-2,7-diamine;pyridazin-3-amine with MolForge

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Frequently Asked Questions

What is the IUPAC name of N-(7-bromo-1,5-naphthyridin-2-yl)-5-cyclopentyl-N-(2-trimethylsilylethoxymethyl)-1,3,4-thiadiazol-2-amine;2-N-(5-cyclopentyl-1,3,4-thiadiazol-2-yl)-7-N-pyridazin-3-yl-1,5-naphthyridine-2,7-diamine;2-N-(5-cyclopentyl-1,3,4-thiadiazol-2-yl)-7-N-pyridazin-3-yl-2-N-(2-trimethylsilylethoxymethyl)-1,5-naphthyridine-2,7-diamine;pyridazin-3-amine?
The IUPAC name of N-(7-bromo-1,5-naphthyridin-2-yl)-5-cyclopentyl-N-(2-trimethylsilylethoxymethyl)-1,3,4-thiadiazol-2-amine;2-N-(5-cyclopentyl-1,3,4-thiadiazol-2-yl)-7-N-pyridazin-3-yl-1,5-naphthyridine-2,7-diamine;2-N-(5-cyclopentyl-1,3,4-thiadiazol-2-yl)-7-N-pyridazin-3-yl-2-N-(2-trimethylsilylethoxymethyl)-1,5-naphthyridine-2,7-diamine;pyridazin-3-amine (CID 161116128) is N-(7-bromo-1,5-naphthyridin-2-yl)-5-cyclopentyl-N-(2-trimethylsilylethoxymethyl)-1,3,4-thiadiazol-2-amine;2-N-(5-cyclopentyl-1,3,4-thiadiazol-2-yl)-7-N-pyridazin-3-yl-1,5-naphthyridine-2,7-diamine;2-N-(5-cyclopentyl-1,3,4-thiadiazol-2-yl)-7-N-pyridazin-3-yl-2-N-(2-trimethylsilylethoxymethyl)-1,5-naphthyridine-2,7-diamine;pyridazin-3-amine.
What is the SMILES notation for N-(7-bromo-1,5-naphthyridin-2-yl)-5-cyclopentyl-N-(2-trimethylsilylethoxymethyl)-1,3,4-thiadiazol-2-amine;2-N-(5-cyclopentyl-1,3,4-thiadiazol-2-yl)-7-N-pyridazin-3-yl-1,5-naphthyridine-2,7-diamine;2-N-(5-cyclopentyl-1,3,4-thiadiazol-2-yl)-7-N-pyridazin-3-yl-2-N-(2-trimethylsilylethoxymethyl)-1,5-naphthyridine-2,7-diamine;pyridazin-3-amine?
The canonical SMILES for N-(7-bromo-1,5-naphthyridin-2-yl)-5-cyclopentyl-N-(2-trimethylsilylethoxymethyl)-1,3,4-thiadiazol-2-amine;2-N-(5-cyclopentyl-1,3,4-thiadiazol-2-yl)-7-N-pyridazin-3-yl-1,5-naphthyridine-2,7-diamine;2-N-(5-cyclopentyl-1,3,4-thiadiazol-2-yl)-7-N-pyridazin-3-yl-2-N-(2-trimethylsilylethoxymethyl)-1,5-naphthyridine-2,7-diamine;pyridazin-3-amine is C[Si](C)(C)CCOCN(c1ccc2ncc(Br)cc2n1)c1nnc(C2CCCC2)s1.C[Si](C)(C)CCOCN(c1ccc2ncc(Nc3cccnn3)cc2n1)c1nnc(C2CCCC2)s1.Nc1cccnn1.c1cnnc(Nc2cnc3ccc(Nc4nnc(C5CCCC5)s4)nc3c2)c1.
What is the InChIKey of N-(7-bromo-1,5-naphthyridin-2-yl)-5-cyclopentyl-N-(2-trimethylsilylethoxymethyl)-1,3,4-thiadiazol-2-amine;2-N-(5-cyclopentyl-1,3,4-thiadiazol-2-yl)-7-N-pyridazin-3-yl-1,5-naphthyridine-2,7-diamine;2-N-(5-cyclopentyl-1,3,4-thiadiazol-2-yl)-7-N-pyridazin-3-yl-2-N-(2-trimethylsilylethoxymethyl)-1,5-naphthyridine-2,7-diamine;pyridazin-3-amine?
The InChIKey is UKIKLEDAVVFRNH-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H32N8OSSi.C21H28BrN5OSSi.C19H18N8S.C4H5N3/c1-36(2,3)14-13-34-17-33(25-32-31-24(35-25)18-7-4-5-8-18)23-11-10-20-21(29-23)15-19(16-26-20)28-22-9-6-12-27-30-22;1-30(2,3)11-10-28-14-27(21-26-25-20(29-21)15-6-4-5-7-15)19-9-8-17-18(24-19)12-16(22)13-23-17;1-2-5-12(4-1)18-26-27-19(28-18)24-16-8-7-14-15(23-16)10-13(11-20-14)22-17-6-3-9-21-25-17;5-4-2-1-3-6-7-4/h6,9-12,15-16,18H,4-5,7-8,13-14,17H2,1-3H3,(H,28,30);8-9,12-13,15H,4-7,10-11,14H2,1-3H3;3,6-12H,1-2,4-5H2,(H,22,25)(H,23,24,27);1-3H,(H2,5,7).
What are the key properties of N-(7-bromo-1,5-naphthyridin-2-yl)-5-cyclopentyl-N-(2-trimethylsilylethoxymethyl)-1,3,4-thiadiazol-2-amine;2-N-(5-cyclopentyl-1,3,4-thiadiazol-2-yl)-7-N-pyridazin-3-yl-1,5-naphthyridine-2,7-diamine;2-N-(5-cyclopentyl-1,3,4-thiadiazol-2-yl)-7-N-pyridazin-3-yl-2-N-(2-trimethylsilylethoxymethyl)-1,5-naphthyridine-2,7-diamine;pyridazin-3-amine?
N-(7-bromo-1,5-naphthyridin-2-yl)-5-cyclopentyl-N-(2-trimethylsilylethoxymethyl)-1,3,4-thiadiazol-2-amine;2-N-(5-cyclopentyl-1,3,4-thiadiazol-2-yl)-7-N-pyridazin-3-yl-1,5-naphthyridine-2,7-diamine;2-N-(5-cyclopentyl-1,3,4-thiadiazol-2-yl)-7-N-pyridazin-3-yl-2-N-(2-trimethylsilylethoxymethyl)-1,5-naphthyridine-2,7-diamine;pyridazin-3-amine has a molecular weight of 1512.87 g/mol, XLogP of 16.95, 23 rotatable bonds, 4 hydrogen bond donors, and 29 hydrogen bond acceptors.
Where does this data come from?
All data for N-(7-bromo-1,5-naphthyridin-2-yl)-5-cyclopentyl-N-(2-trimethylsilylethoxymethyl)-1,3,4-thiadiazol-2-amine;2-N-(5-cyclopentyl-1,3,4-thiadiazol-2-yl)-7-N-pyridazin-3-yl-1,5-naphthyridine-2,7-diamine;2-N-(5-cyclopentyl-1,3,4-thiadiazol-2-yl)-7-N-pyridazin-3-yl-2-N-(2-trimethylsilylethoxymethyl)-1,5-naphthyridine-2,7-diamine;pyridazin-3-amine is sourced from PubChem (CID 161116128), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).