(2-methylquinolin-6-yl)-(1H-1,2,4-triazol-5-yl)methanamine

C13H13N5 — CID 81231338

IUPAC(2-methylquinolin-6-yl)-(1H-1,2,4-triazol-5-yl)methanamine
SMILESCc1ccc2cc(C(N)c3ncn[nH]3)ccc2n1
InChIInChI=1S/C13H13N5/c1-8-2-3-9-6-10(4-5-11(9)17-8)12(14)13-15-7-16-18-13/h2-7,12H,14H2,1H3,(H,15,16,18)
InChIKeyNGWWWGZTLFPAJI-UHFFFAOYSA-N
MW239.28 g/mol
LogP1.71
Rot. Bonds2

About (2-methylquinolin-6-yl)-(1H-1,2,4-triazol-5-yl)methanamine

(2-methylquinolin-6-yl)-(1H-1,2,4-triazol-5-yl)methanamine (PubChem CID 81231338) has the molecular formula C13H13N5 and a molecular weight of 239.28 g/mol. Its IUPAC name is (2-methylquinolin-6-yl)-(1H-1,2,4-triazol-5-yl)methanamine.

Molecular Properties

Compound Name(2-methylquinolin-6-yl)-(1H-1,2,4-triazol-5-yl)methanamine
PubChem CID81231338
Molecular FormulaC13H13N5
Molecular Weight239.28 g/mol
Exact Mass239.12
IUPAC Name(2-methylquinolin-6-yl)-(1H-1,2,4-triazol-5-yl)methanamine
SMILESCc1ccc2cc(C(N)c3ncn[nH]3)ccc2n1
InChIInChI=1S/C13H13N5/c1-8-2-3-9-6-10(4-5-11(9)17-8)12(14)13-15-7-16-18-13/h2-7,12H,14H2,1H3,(H,15,16,18)
InChIKeyNGWWWGZTLFPAJI-UHFFFAOYSA-N
XLogP1.71
TPSA80.48 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500239.28
LogP ≤ 51.71
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

(4-fluorophenyl)-(1H-1,2,4-triazol-5-yl)methanamine
CID 65362903
(R)-(3,4-diethoxyphenyl)-(1H-1,2,4-triazol-5-yl)methanamine
CID 97052988
3,3-dimethyl-1-(2-methylquinolin-6-yl)butan-1-amine
CID 81231464
1-(2-methylquinolin-6-yl)-2-pyridin-4-ylethanamine
CID 81231601
(2-methylquinolin-6-yl)-(2-methyl-1,3-thiazol-4-yl)methanamine
CID 105172277
(2,5-dimethylpyrazol-3-yl)-(2-methylquinolin-6-yl)methanamine
CID 105172278
(2,3-dimethylphenyl)-(2-methylquinolin-6-yl)methanamine
CID 105020875
(S)-(4-chlorophenyl)-(1H-1,2,4-triazol-5-yl)methanamine
CID 96995614
3,3,3-trifluoro-1-(2-methylquinolin-6-yl)propan-1-amine
CID 79016384
1-(2-methylquinolin-6-yl)-2-propan-2-ylsulfanylethanamine
CID 81231835
(4-fluoro-2-methylphenyl)-(2-methylquinolin-6-yl)methanamine
CID 81270225
4-amino-3-(2-methylquinolin-6-yl)butan-1-ol
CID 105379707

Frequently Asked Questions

What is the IUPAC name of (2-methylquinolin-6-yl)-(1H-1,2,4-triazol-5-yl)methanamine?
The IUPAC name of (2-methylquinolin-6-yl)-(1H-1,2,4-triazol-5-yl)methanamine (CID 81231338) is (2-methylquinolin-6-yl)-(1H-1,2,4-triazol-5-yl)methanamine.
What is the SMILES notation for (2-methylquinolin-6-yl)-(1H-1,2,4-triazol-5-yl)methanamine?
The canonical SMILES for (2-methylquinolin-6-yl)-(1H-1,2,4-triazol-5-yl)methanamine is Cc1ccc2cc(C(N)c3ncn[nH]3)ccc2n1.
What is the InChIKey of (2-methylquinolin-6-yl)-(1H-1,2,4-triazol-5-yl)methanamine?
The InChIKey is NGWWWGZTLFPAJI-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H13N5/c1-8-2-3-9-6-10(4-5-11(9)17-8)12(14)13-15-7-16-18-13/h2-7,12H,14H2,1H3,(H,15,16,18).
What are the key properties of (2-methylquinolin-6-yl)-(1H-1,2,4-triazol-5-yl)methanamine?
(2-methylquinolin-6-yl)-(1H-1,2,4-triazol-5-yl)methanamine has a molecular weight of 239.28 g/mol, XLogP of 1.71, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2-methylquinolin-6-yl)-(1H-1,2,4-triazol-5-yl)methanamine is sourced from PubChem (CID 81231338), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).