N-[(2-methyl-5-phenyltriazol-4-yl)methyl]-1-pyridin-3-ylmethanamine

C16H17N5 — CID 119027458

IUPACN-[(2-methyl-5-phenyltriazol-4-yl)methyl]-1-pyridin-3-ylmethanamine
SMILESCn1nc(CNCc2cccnc2)c(-c2ccccc2)n1
InChIInChI=1S/C16H17N5/c1-21-19-15(12-18-11-13-6-5-9-17-10-13)16(20-21)14-7-3-2-4-8-14/h2-10,18H,11-12H2,1H3
InChIKeyPBTBYCUPYSZDPN-UHFFFAOYSA-N
MW279.35 g/mol
LogP2.17
Rot. Bonds5

About N-[(2-methyl-5-phenyltriazol-4-yl)methyl]-1-pyridin-3-ylmethanamine

N-[(2-methyl-5-phenyltriazol-4-yl)methyl]-1-pyridin-3-ylmethanamine (PubChem CID 119027458) has the molecular formula C16H17N5 and a molecular weight of 279.35 g/mol. Its IUPAC name is N-[(2-methyl-5-phenyltriazol-4-yl)methyl]-1-pyridin-3-ylmethanamine.

Molecular Properties

Compound NameN-[(2-methyl-5-phenyltriazol-4-yl)methyl]-1-pyridin-3-ylmethanamine
PubChem CID119027458
Molecular FormulaC16H17N5
Molecular Weight279.35 g/mol
Exact Mass279.15
IUPAC NameN-[(2-methyl-5-phenyltriazol-4-yl)methyl]-1-pyridin-3-ylmethanamine
SMILESCn1nc(CNCc2cccnc2)c(-c2ccccc2)n1
InChIInChI=1S/C16H17N5/c1-21-19-15(12-18-11-13-6-5-9-17-10-13)16(20-21)14-7-3-2-4-8-14/h2-10,18H,11-12H2,1H3
InChIKeyPBTBYCUPYSZDPN-UHFFFAOYSA-N
XLogP2.17
TPSA55.63 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500279.35
LogP ≤ 52.17
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

1-phenyl-N-(pyridin-3-ylmethyl)methanamine;N-(pyridin-3-ylmethyl)ethanamine
CID 174270590
2-(4-chlorophenyl)-N-[(2-methyl-5-phenyltriazol-4-yl)methyl]ethanamine
CID 124806285
N',N'-diethyl-N-[(2-methyl-5-phenyltriazol-4-yl)methyl]propane-1,3-diamine
CID 125114554
N-[(2-methylpyrazol-3-yl)methyl]-1-pyridin-3-ylmethanamine
CID 19626584
1-pyridin-4-yl-N-(pyridin-3-ylmethyl)methanamine;dihydrochloride
CID 163329891
N-[[2-[(3-methylphenyl)methyl]-5-phenyltriazol-4-yl]methyl]-1-phenylmethanamine
CID 124800161
N-[(2-methyl-5-phenyltriazol-4-yl)methyl]cyclohexanamine
CID 94073947
N-[(3-tert-butyl-1-methylpyrazol-4-yl)methyl]-1-pyridin-3-ylmethanamine
CID 83082450
1-methyl-5-phenyl-N-(pyridin-3-ylmethyl)imidazol-2-amine
CID 51361863
3-(4-methylphenyl)-1-phenyl-5-[(pyridin-3-ylmethylamino)methyl]-7H-pyrazolo[5,4-b]pyridin-6-one
CID 135495879
N,N-diethyl-4-[(pyridin-3-ylmethylamino)methyl]aniline
CID 1075944
N-[(2-methyl-3-phenylimidazol-4-yl)methyl]-1-pyridin-3-ylmethanamine
CID 79036219

Frequently Asked Questions

What is the IUPAC name of N-[(2-methyl-5-phenyltriazol-4-yl)methyl]-1-pyridin-3-ylmethanamine?
The IUPAC name of N-[(2-methyl-5-phenyltriazol-4-yl)methyl]-1-pyridin-3-ylmethanamine (CID 119027458) is N-[(2-methyl-5-phenyltriazol-4-yl)methyl]-1-pyridin-3-ylmethanamine.
What is the SMILES notation for N-[(2-methyl-5-phenyltriazol-4-yl)methyl]-1-pyridin-3-ylmethanamine?
The canonical SMILES for N-[(2-methyl-5-phenyltriazol-4-yl)methyl]-1-pyridin-3-ylmethanamine is Cn1nc(CNCc2cccnc2)c(-c2ccccc2)n1.
What is the InChIKey of N-[(2-methyl-5-phenyltriazol-4-yl)methyl]-1-pyridin-3-ylmethanamine?
The InChIKey is PBTBYCUPYSZDPN-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H17N5/c1-21-19-15(12-18-11-13-6-5-9-17-10-13)16(20-21)14-7-3-2-4-8-14/h2-10,18H,11-12H2,1H3.
What are the key properties of N-[(2-methyl-5-phenyltriazol-4-yl)methyl]-1-pyridin-3-ylmethanamine?
N-[(2-methyl-5-phenyltriazol-4-yl)methyl]-1-pyridin-3-ylmethanamine has a molecular weight of 279.35 g/mol, XLogP of 2.17, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2-methyl-5-phenyltriazol-4-yl)methyl]-1-pyridin-3-ylmethanamine is sourced from PubChem (CID 119027458), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).