1-[(2-methylquinolin-4-yl)methyl]-1,2,4-triazol-3-amine

C13H13N5 — CID 79235165

IUPAC1-[(2-methylquinolin-4-yl)methyl]-1,2,4-triazol-3-amine
SMILESCc1cc(Cn2cnc(N)n2)c2ccccc2n1
InChIInChI=1S/C13H13N5/c1-9-6-10(7-18-8-15-13(14)17-18)11-4-2-3-5-12(11)16-9/h2-6,8H,7H2,1H3,(H2,14,17)
InChIKeyBENIDPQOTICGCZ-UHFFFAOYSA-N
MW239.28 g/mol
LogP1.77
Rot. Bonds2

About 1-[(2-methylquinolin-4-yl)methyl]-1,2,4-triazol-3-amine

1-[(2-methylquinolin-4-yl)methyl]-1,2,4-triazol-3-amine (PubChem CID 79235165) has the molecular formula C13H13N5 and a molecular weight of 239.28 g/mol. Its IUPAC name is 1-[(2-methylquinolin-4-yl)methyl]-1,2,4-triazol-3-amine.

Molecular Properties

Compound Name1-[(2-methylquinolin-4-yl)methyl]-1,2,4-triazol-3-amine
PubChem CID79235165
Molecular FormulaC13H13N5
Molecular Weight239.28 g/mol
Exact Mass239.12
IUPAC Name1-[(2-methylquinolin-4-yl)methyl]-1,2,4-triazol-3-amine
SMILESCc1cc(Cn2cnc(N)n2)c2ccccc2n1
InChIInChI=1S/C13H13N5/c1-9-6-10(7-18-8-15-13(14)17-18)11-4-2-3-5-12(11)16-9/h2-6,8H,7H2,1H3,(H2,14,17)
InChIKeyBENIDPQOTICGCZ-UHFFFAOYSA-N
XLogP1.77
TPSA69.62 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500239.28
LogP ≤ 51.77
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

[1-[(2-methylquinolin-4-yl)methyl]pyrazol-4-yl]methanamine
CID 79241282
(2-methylquinolin-4-yl)methanamine;dihydrochloride
CID 42946478
2-methyl-4-[(2-methylimidazol-1-yl)methyl]quinoline
CID 78995513
4-iodo-1-[(2-methylquinolin-4-yl)methyl]pyrazol-5-amine
CID 79235535
3-amino-1-[(2-methylquinolin-4-yl)methyl]pyridin-2-one
CID 79235474
(3-amino-1,2,4-triazol-1-yl)-(2-methylquinolin-4-yl)methanone
CID 110485308
5-[(2-methylquinolin-4-yl)methyl]pyrimidine-2,4-diamine
CID 70525378
1-[(2-ethylphenyl)methyl]-1,2,4-triazol-3-amine
CID 165481060
(2-methylquinolin-4-yl)methanethiol
CID 79885955
1-[(2-methylquinolin-4-yl)methyl]imidazole-4-carbaldehyde
CID 106716499
1-[(2-methylquinolin-4-yl)methyl]triazole-4-carbaldehyde
CID 79240975
5-[(2-methylquinolin-4-yl)methyl]pyrimidine-2,4-diamine;dihydrochloride
CID 70525377

Frequently Asked Questions

What is the IUPAC name of 1-[(2-methylquinolin-4-yl)methyl]-1,2,4-triazol-3-amine?
The IUPAC name of 1-[(2-methylquinolin-4-yl)methyl]-1,2,4-triazol-3-amine (CID 79235165) is 1-[(2-methylquinolin-4-yl)methyl]-1,2,4-triazol-3-amine.
What is the SMILES notation for 1-[(2-methylquinolin-4-yl)methyl]-1,2,4-triazol-3-amine?
The canonical SMILES for 1-[(2-methylquinolin-4-yl)methyl]-1,2,4-triazol-3-amine is Cc1cc(Cn2cnc(N)n2)c2ccccc2n1.
What is the InChIKey of 1-[(2-methylquinolin-4-yl)methyl]-1,2,4-triazol-3-amine?
The InChIKey is BENIDPQOTICGCZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H13N5/c1-9-6-10(7-18-8-15-13(14)17-18)11-4-2-3-5-12(11)16-9/h2-6,8H,7H2,1H3,(H2,14,17).
What are the key properties of 1-[(2-methylquinolin-4-yl)methyl]-1,2,4-triazol-3-amine?
1-[(2-methylquinolin-4-yl)methyl]-1,2,4-triazol-3-amine has a molecular weight of 239.28 g/mol, XLogP of 1.77, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(2-methylquinolin-4-yl)methyl]-1,2,4-triazol-3-amine is sourced from PubChem (CID 79235165), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).