N-(pyridin-4-ylmethyl)-1-(1,2,4-triazol-1-yl)propan-2-amine

C11H15N5 — CID 115595990

IUPACN-(pyridin-4-ylmethyl)-1-(1,2,4-triazol-1-yl)propan-2-amine
SMILESCC(Cn1cncn1)NCc1ccncc1
InChIInChI=1S/C11H15N5/c1-10(7-16-9-13-8-15-16)14-6-11-2-4-12-5-3-11/h2-5,8-10,14H,6-7H2,1H3
InChIKeyOYUBVLQOYLIKML-UHFFFAOYSA-N
MW217.28 g/mol
LogP0.85
Rot. Bonds5

About N-(pyridin-4-ylmethyl)-1-(1,2,4-triazol-1-yl)propan-2-amine

N-(pyridin-4-ylmethyl)-1-(1,2,4-triazol-1-yl)propan-2-amine (PubChem CID 115595990) has the molecular formula C11H15N5 and a molecular weight of 217.28 g/mol. Its IUPAC name is N-(pyridin-4-ylmethyl)-1-(1,2,4-triazol-1-yl)propan-2-amine.

Molecular Properties

Compound NameN-(pyridin-4-ylmethyl)-1-(1,2,4-triazol-1-yl)propan-2-amine
PubChem CID115595990
Molecular FormulaC11H15N5
Molecular Weight217.28 g/mol
Exact Mass217.13
IUPAC NameN-(pyridin-4-ylmethyl)-1-(1,2,4-triazol-1-yl)propan-2-amine
SMILESCC(Cn1cncn1)NCc1ccncc1
InChIInChI=1S/C11H15N5/c1-10(7-16-9-13-8-15-16)14-6-11-2-4-12-5-3-11/h2-5,8-10,14H,6-7H2,1H3
InChIKeyOYUBVLQOYLIKML-UHFFFAOYSA-N
XLogP0.85
TPSA55.63 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500217.28
LogP ≤ 50.85
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-[(4-imidazol-1-ylphenyl)methyl]-1-(1,2,4-triazol-1-yl)propan-2-amine
CID 86854994
(2S)-N-[(4-bromo-3-methylphenyl)methyl]-1-(1,2,4-triazol-1-yl)propan-2-amine
CID 95902252
(2S)-1-pyrazol-1-yl-N-[[4-(1,2,4-triazol-1-yl)phenyl]methyl]propan-2-amine
CID 95273102
2-methyl-N-(2-pyridin-4-ylethyl)-3-(1,2,4-triazol-1-yl)propanamide
CID 131925012
(2S)-N-[(2-methoxyphenyl)methyl]-1-(1,2,4-triazol-1-yl)propan-2-amine
CID 129369537
N-(5H-pyrrolo[2,3-b]pyrazin-7-ylmethyl)-1-(1,2,4-triazol-1-yl)propan-2-amine
CID 167842759
N-propan-2-yl-2-[[(2S)-1-(1,2,4-triazol-1-yl)propan-2-yl]amino]acetamide
CID 95207497
(2R)-N-[(4-ethyl-1,3-thiazol-2-yl)methyl]-1-(1,2,4-triazol-1-yl)propan-2-amine
CID 95204414
(2R)-N-[[2-(3,4-difluorophenoxy)-3-pyridinyl]methyl]-1-(1,2,4-triazol-1-yl)propan-2-amine
CID 95208009
(2R)-N-[(5-tert-butyl-1,3-benzoxazol-2-yl)methyl]-1-(1,2,4-triazol-1-yl)propan-2-amine
CID 95223818
N-[(4-fluorophenyl)methyl]-1-pyrazol-1-ylpropan-2-amine
CID 43435020
N-[[4-(2-methylpropyl)phenyl]methyl]-1-pyrazol-1-ylpropan-2-amine
CID 78960327

Frequently Asked Questions

What is the IUPAC name of N-(pyridin-4-ylmethyl)-1-(1,2,4-triazol-1-yl)propan-2-amine?
The IUPAC name of N-(pyridin-4-ylmethyl)-1-(1,2,4-triazol-1-yl)propan-2-amine (CID 115595990) is N-(pyridin-4-ylmethyl)-1-(1,2,4-triazol-1-yl)propan-2-amine.
What is the SMILES notation for N-(pyridin-4-ylmethyl)-1-(1,2,4-triazol-1-yl)propan-2-amine?
The canonical SMILES for N-(pyridin-4-ylmethyl)-1-(1,2,4-triazol-1-yl)propan-2-amine is CC(Cn1cncn1)NCc1ccncc1.
What is the InChIKey of N-(pyridin-4-ylmethyl)-1-(1,2,4-triazol-1-yl)propan-2-amine?
The InChIKey is OYUBVLQOYLIKML-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H15N5/c1-10(7-16-9-13-8-15-16)14-6-11-2-4-12-5-3-11/h2-5,8-10,14H,6-7H2,1H3.
What are the key properties of N-(pyridin-4-ylmethyl)-1-(1,2,4-triazol-1-yl)propan-2-amine?
N-(pyridin-4-ylmethyl)-1-(1,2,4-triazol-1-yl)propan-2-amine has a molecular weight of 217.28 g/mol, XLogP of 0.85, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(pyridin-4-ylmethyl)-1-(1,2,4-triazol-1-yl)propan-2-amine is sourced from PubChem (CID 115595990), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).