N-[(1-methyl-1,2,4-triazol-3-yl)methyl]-1-quinolin-2-ylmethanamine

C14H15N5 — CID 103884429

IUPACN-[(1-methyl-1,2,4-triazol-3-yl)methyl]-1-quinolin-2-ylmethanamine
SMILESCn1cnc(CNCc2ccc3ccccc3n2)n1
InChIInChI=1S/C14H15N5/c1-19-10-16-14(18-19)9-15-8-12-7-6-11-4-2-3-5-13(11)17-12/h2-7,10,15H,8-9H2,1H3
InChIKeyPZMIJVUMPAGKIQ-UHFFFAOYSA-N
MW253.31 g/mol
LogP1.65
Rot. Bonds4

About N-[(1-methyl-1,2,4-triazol-3-yl)methyl]-1-quinolin-2-ylmethanamine

N-[(1-methyl-1,2,4-triazol-3-yl)methyl]-1-quinolin-2-ylmethanamine (PubChem CID 103884429) has the molecular formula C14H15N5 and a molecular weight of 253.31 g/mol. Its IUPAC name is N-[(1-methyl-1,2,4-triazol-3-yl)methyl]-1-quinolin-2-ylmethanamine.

Molecular Properties

Compound NameN-[(1-methyl-1,2,4-triazol-3-yl)methyl]-1-quinolin-2-ylmethanamine
PubChem CID103884429
Molecular FormulaC14H15N5
Molecular Weight253.31 g/mol
Exact Mass253.13
IUPAC NameN-[(1-methyl-1,2,4-triazol-3-yl)methyl]-1-quinolin-2-ylmethanamine
SMILESCn1cnc(CNCc2ccc3ccccc3n2)n1
InChIInChI=1S/C14H15N5/c1-19-10-16-14(18-19)9-15-8-12-7-6-11-4-2-3-5-13(11)17-12/h2-7,10,15H,8-9H2,1H3
InChIKeyPZMIJVUMPAGKIQ-UHFFFAOYSA-N
XLogP1.65
TPSA55.63 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500253.31
LogP ≤ 51.65
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-[(1-methyl-1,2,4-triazol-3-yl)methyl]quinolin-2-amine
CID 103883776
N-[(2-methylpyrimidin-4-yl)methyl]-1-quinolin-2-ylmethanamine
CID 61016402
N-[(2-methylpyrazol-3-yl)methyl]-1-quinolin-2-ylmethanamine
CID 63001320
1-(1-methylpyrazol-3-yl)-N-[(1-methyl-1,2,4-triazol-3-yl)methyl]methanamine
CID 103884404
2-[[(1-methyl-1,2,4-triazol-3-yl)methylamino]methyl]phenol
CID 103884596
2-methyl-N-(quinolin-2-ylmethyl)propan-1-amine
CID 28774774
N-[(3-methyl-2-pyridinyl)methyl]-1-quinolin-2-ylmethanamine
CID 63306755
N-[(2-chlorophenyl)methyl]-1-quinolin-2-ylmethanamine
CID 28774820
2-(quinolin-2-ylmethylamino)ethanol;hydrochloride
CID 54612158
N-(quinolin-2-ylmethyl)hexan-1-amine
CID 60672947
6-chloro-N-(quinolin-2-ylmethyl)hexan-1-amine
CID 114008239
N-(quinolin-2-ylmethyl)-1-(2,2,3,3-tetramethylcyclopropyl)methanamine
CID 79352821

Frequently Asked Questions

What is the IUPAC name of N-[(1-methyl-1,2,4-triazol-3-yl)methyl]-1-quinolin-2-ylmethanamine?
The IUPAC name of N-[(1-methyl-1,2,4-triazol-3-yl)methyl]-1-quinolin-2-ylmethanamine (CID 103884429) is N-[(1-methyl-1,2,4-triazol-3-yl)methyl]-1-quinolin-2-ylmethanamine.
What is the SMILES notation for N-[(1-methyl-1,2,4-triazol-3-yl)methyl]-1-quinolin-2-ylmethanamine?
The canonical SMILES for N-[(1-methyl-1,2,4-triazol-3-yl)methyl]-1-quinolin-2-ylmethanamine is Cn1cnc(CNCc2ccc3ccccc3n2)n1.
What is the InChIKey of N-[(1-methyl-1,2,4-triazol-3-yl)methyl]-1-quinolin-2-ylmethanamine?
The InChIKey is PZMIJVUMPAGKIQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H15N5/c1-19-10-16-14(18-19)9-15-8-12-7-6-11-4-2-3-5-13(11)17-12/h2-7,10,15H,8-9H2,1H3.
What are the key properties of N-[(1-methyl-1,2,4-triazol-3-yl)methyl]-1-quinolin-2-ylmethanamine?
N-[(1-methyl-1,2,4-triazol-3-yl)methyl]-1-quinolin-2-ylmethanamine has a molecular weight of 253.31 g/mol, XLogP of 1.65, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1-methyl-1,2,4-triazol-3-yl)methyl]-1-quinolin-2-ylmethanamine is sourced from PubChem (CID 103884429), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).