N-[[1-(2-methylpropyl)imidazol-2-yl]methyl]-3-phenyl-[1,2,4]triazolo[4,3-b]pyridazin-6-amine

C19H21N7 — CID 71996278

IUPACN-[[1-(2-methylpropyl)imidazol-2-yl]methyl]-3-phenyl-[1,2,4]triazolo[4,3-b]pyridazin-6-amine
SMILESCC(C)Cn1ccnc1CNc1ccc2nnc(-c3ccccc3)n2n1
InChIInChI=1S/C19H21N7/c1-14(2)13-25-11-10-20-18(25)12-21-16-8-9-17-22-23-19(26(17)24-16)15-6-4-3-5-7-15/h3-11,14H,12-13H2,1-2H3,(H,21,24)
InChIKeyGRMWYGKDMWERFU-UHFFFAOYSA-N
MW347.43 g/mol
LogP3.26
Rot. Bonds6

About N-[[1-(2-methylpropyl)imidazol-2-yl]methyl]-3-phenyl-[1,2,4]triazolo[4,3-b]pyridazin-6-amine

N-[[1-(2-methylpropyl)imidazol-2-yl]methyl]-3-phenyl-[1,2,4]triazolo[4,3-b]pyridazin-6-amine (PubChem CID 71996278) has the molecular formula C19H21N7 and a molecular weight of 347.43 g/mol. Its IUPAC name is N-[[1-(2-methylpropyl)imidazol-2-yl]methyl]-3-phenyl-[1,2,4]triazolo[4,3-b]pyridazin-6-amine.

Molecular Properties

Compound NameN-[[1-(2-methylpropyl)imidazol-2-yl]methyl]-3-phenyl-[1,2,4]triazolo[4,3-b]pyridazin-6-amine
PubChem CID71996278
Molecular FormulaC19H21N7
Molecular Weight347.43 g/mol
Exact Mass347.19
IUPAC NameN-[[1-(2-methylpropyl)imidazol-2-yl]methyl]-3-phenyl-[1,2,4]triazolo[4,3-b]pyridazin-6-amine
SMILESCC(C)Cn1ccnc1CNc1ccc2nnc(-c3ccccc3)n2n1
InChIInChI=1S/C19H21N7/c1-14(2)13-25-11-10-20-18(25)12-21-16-8-9-17-22-23-19(26(17)24-16)15-6-4-3-5-7-15/h3-11,14H,12-13H2,1-2H3,(H,21,24)
InChIKeyGRMWYGKDMWERFU-UHFFFAOYSA-N
XLogP3.26
TPSA72.93 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500347.43
LogP ≤ 53.26
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of N-[[1-(2-methylpropyl)imidazol-2-yl]methyl]-3-phenyl-[1,2,4]triazolo[4,3-b]pyridazin-6-amine?
The IUPAC name of N-[[1-(2-methylpropyl)imidazol-2-yl]methyl]-3-phenyl-[1,2,4]triazolo[4,3-b]pyridazin-6-amine (CID 71996278) is N-[[1-(2-methylpropyl)imidazol-2-yl]methyl]-3-phenyl-[1,2,4]triazolo[4,3-b]pyridazin-6-amine.
What is the SMILES notation for N-[[1-(2-methylpropyl)imidazol-2-yl]methyl]-3-phenyl-[1,2,4]triazolo[4,3-b]pyridazin-6-amine?
The canonical SMILES for N-[[1-(2-methylpropyl)imidazol-2-yl]methyl]-3-phenyl-[1,2,4]triazolo[4,3-b]pyridazin-6-amine is CC(C)Cn1ccnc1CNc1ccc2nnc(-c3ccccc3)n2n1.
What is the InChIKey of N-[[1-(2-methylpropyl)imidazol-2-yl]methyl]-3-phenyl-[1,2,4]triazolo[4,3-b]pyridazin-6-amine?
The InChIKey is GRMWYGKDMWERFU-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H21N7/c1-14(2)13-25-11-10-20-18(25)12-21-16-8-9-17-22-23-19(26(17)24-16)15-6-4-3-5-7-15/h3-11,14H,12-13H2,1-2H3,(H,21,24).
What are the key properties of N-[[1-(2-methylpropyl)imidazol-2-yl]methyl]-3-phenyl-[1,2,4]triazolo[4,3-b]pyridazin-6-amine?
N-[[1-(2-methylpropyl)imidazol-2-yl]methyl]-3-phenyl-[1,2,4]triazolo[4,3-b]pyridazin-6-amine has a molecular weight of 347.43 g/mol, XLogP of 3.26, 6 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[1-(2-methylpropyl)imidazol-2-yl]methyl]-3-phenyl-[1,2,4]triazolo[4,3-b]pyridazin-6-amine is sourced from PubChem (CID 71996278), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).