N,5,6-trimethyl-N-[1-[4-(1,2,4-triazol-1-yl)phenyl]ethyl]pyridazin-3-amine

C17H20N6 — CID 133488618

IUPACN,5,6-trimethyl-N-[1-[4-(1,2,4-triazol-1-yl)phenyl]ethyl]pyridazin-3-amine
SMILESCc1cc(N(C)C(C)c2ccc(-n3cncn3)cc2)nnc1C
InChIInChI=1S/C17H20N6/c1-12-9-17(21-20-13(12)2)22(4)14(3)15-5-7-16(8-6-15)23-11-18-10-19-23/h5-11,14H,1-4H3
InChIKeyBWTYCGMTVXGBML-UHFFFAOYSA-N
MW308.39 g/mol
LogP2.87
Rot. Bonds4

About N,5,6-trimethyl-N-[1-[4-(1,2,4-triazol-1-yl)phenyl]ethyl]pyridazin-3-amine

N,5,6-trimethyl-N-[1-[4-(1,2,4-triazol-1-yl)phenyl]ethyl]pyridazin-3-amine (PubChem CID 133488618) has the molecular formula C17H20N6 and a molecular weight of 308.39 g/mol. Its IUPAC name is N,5,6-trimethyl-N-[1-[4-(1,2,4-triazol-1-yl)phenyl]ethyl]pyridazin-3-amine.

Molecular Properties

Compound NameN,5,6-trimethyl-N-[1-[4-(1,2,4-triazol-1-yl)phenyl]ethyl]pyridazin-3-amine
PubChem CID133488618
Molecular FormulaC17H20N6
Molecular Weight308.39 g/mol
Exact Mass308.17
IUPAC NameN,5,6-trimethyl-N-[1-[4-(1,2,4-triazol-1-yl)phenyl]ethyl]pyridazin-3-amine
SMILESCc1cc(N(C)C(C)c2ccc(-n3cncn3)cc2)nnc1C
InChIInChI=1S/C17H20N6/c1-12-9-17(21-20-13(12)2)22(4)14(3)15-5-7-16(8-6-15)23-11-18-10-19-23/h5-11,14H,1-4H3
InChIKeyBWTYCGMTVXGBML-UHFFFAOYSA-N
XLogP2.87
TPSA59.73 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500308.39
LogP ≤ 52.87
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

3-(2-fluorophenyl)-N-methyl-N-[1-[4-(1,2,4-triazol-1-yl)phenyl]ethyl]-[1,2,4]triazolo[4,3-b]pyridazin-6-amine
CID 133426237
N,3,4-trimethyl-N-[1-[4-(1,2,4-triazol-1-yl)phenyl]ethyl]benzenesulfonamide
CID 51200625
N-methyl-1-phenyl-N-[(1S)-1-[4-(1,2,4-triazol-1-yl)phenyl]ethyl]tetrazol-5-amine
CID 9030453
N-methyl-N-[1-[4-(1,2,4-triazol-1-yl)phenyl]ethyl]prop-2-en-1-amine
CID 86907029
[(1R)-1-[4-(1,2,4-triazol-1-yl)phenyl]ethyl]azanium
CID 7128983
N,2,5-trimethyl-N-[1-[4-(1,2,4-triazol-1-yl)phenyl]ethyl]furan-3-carboxamide
CID 78808654
N,4-dimethyl-N-[(1R)-1-[4-(1,2,4-triazol-1-yl)phenyl]ethyl]benzamide
CID 9470834
N-methyl-N-[(5-methylfuran-2-yl)methyl]-1-[4-(1,2,4-triazol-1-yl)phenyl]ethanamine
CID 71912735
4-N-methyl-4-N-[1-[4-(1,2,4-triazol-1-yl)phenyl]ethyl]benzene-1,4-dicarboxamide
CID 46613787
N,3-dimethyl-N-[1-[4-(1,2,4-triazol-1-yl)phenyl]ethyl]-1,2-oxazole-5-carboxamide
CID 51207161
3,5-difluoro-N-methyl-N-[(1S)-1-[4-(1,2,4-triazol-1-yl)phenyl]ethyl]benzamide
CID 9471095
1-[4-(3,3-dimethylbutan-2-yl)phenyl]-1,2,4-triazole
CID 59380837

Frequently Asked Questions

What is the IUPAC name of N,5,6-trimethyl-N-[1-[4-(1,2,4-triazol-1-yl)phenyl]ethyl]pyridazin-3-amine?
The IUPAC name of N,5,6-trimethyl-N-[1-[4-(1,2,4-triazol-1-yl)phenyl]ethyl]pyridazin-3-amine (CID 133488618) is N,5,6-trimethyl-N-[1-[4-(1,2,4-triazol-1-yl)phenyl]ethyl]pyridazin-3-amine.
What is the SMILES notation for N,5,6-trimethyl-N-[1-[4-(1,2,4-triazol-1-yl)phenyl]ethyl]pyridazin-3-amine?
The canonical SMILES for N,5,6-trimethyl-N-[1-[4-(1,2,4-triazol-1-yl)phenyl]ethyl]pyridazin-3-amine is Cc1cc(N(C)C(C)c2ccc(-n3cncn3)cc2)nnc1C.
What is the InChIKey of N,5,6-trimethyl-N-[1-[4-(1,2,4-triazol-1-yl)phenyl]ethyl]pyridazin-3-amine?
The InChIKey is BWTYCGMTVXGBML-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H20N6/c1-12-9-17(21-20-13(12)2)22(4)14(3)15-5-7-16(8-6-15)23-11-18-10-19-23/h5-11,14H,1-4H3.
What are the key properties of N,5,6-trimethyl-N-[1-[4-(1,2,4-triazol-1-yl)phenyl]ethyl]pyridazin-3-amine?
N,5,6-trimethyl-N-[1-[4-(1,2,4-triazol-1-yl)phenyl]ethyl]pyridazin-3-amine has a molecular weight of 308.39 g/mol, XLogP of 2.87, 4 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N,5,6-trimethyl-N-[1-[4-(1,2,4-triazol-1-yl)phenyl]ethyl]pyridazin-3-amine is sourced from PubChem (CID 133488618), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).