2-pyridin-3-yl-2-(1,2,4-triazol-1-yl)propan-1-amine

C10H13N5 — CID 82506560

IUPAC2-pyridin-3-yl-2-(1,2,4-triazol-1-yl)propan-1-amine
SMILESCC(CN)(c1cccnc1)n1cncn1
InChIInChI=1S/C10H13N5/c1-10(6-11,15-8-13-7-14-15)9-3-2-4-12-5-9/h2-5,7-8H,6,11H2,1H3
InChIKeyIXAQTOHBDSNCBX-UHFFFAOYSA-N
MW203.25 g/mol
LogP0.40
Rot. Bonds3

About 2-pyridin-3-yl-2-(1,2,4-triazol-1-yl)propan-1-amine

2-pyridin-3-yl-2-(1,2,4-triazol-1-yl)propan-1-amine (PubChem CID 82506560) has the molecular formula C10H13N5 and a molecular weight of 203.25 g/mol. Its IUPAC name is 2-pyridin-3-yl-2-(1,2,4-triazol-1-yl)propan-1-amine.

Molecular Properties

Compound Name2-pyridin-3-yl-2-(1,2,4-triazol-1-yl)propan-1-amine
PubChem CID82506560
Molecular FormulaC10H13N5
Molecular Weight203.25 g/mol
Exact Mass203.12
IUPAC Name2-pyridin-3-yl-2-(1,2,4-triazol-1-yl)propan-1-amine
SMILESCC(CN)(c1cccnc1)n1cncn1
InChIInChI=1S/C10H13N5/c1-10(6-11,15-8-13-7-14-15)9-3-2-4-12-5-9/h2-5,7-8H,6,11H2,1H3
InChIKeyIXAQTOHBDSNCBX-UHFFFAOYSA-N
XLogP0.40
TPSA69.62 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500203.25
LogP ≤ 50.40
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

2,2,4-trimethyl-4-pyridin-3-ylpentan-1-amine
CID 146668087
(2S)-2-pyridin-3-ylbutan-2-amine
CID 93358668
3-methyl-3-N-(2-methyl-2-pyridin-3-ylpropyl)butane-1,3-diamine
CID 115135086
3-(1-bromo-1-pyridin-3-ylpropyl)pyridine
CID 175286517
1-fluoro-2-pyridin-3-ylpropan-2-ol
CID 89407695
2,2-diethoxy-2-pyridin-3-ylethanamine
CID 10987537
2-methyl-2-pyridin-3-ylpropane-1,3-diol
CID 130130273
2,4-dimethyl-4-pyridin-3-ylpentan-2-ol
CID 145044151
2-piperazin-1-yl-2-pyridin-3-ylpropan-1-ol
CID 61053881
methyl 4-amino-3-methyl-3-pyridin-3-ylbutanoate
CID 66098092
3-amino-2,2-dimethyl-N-(2-methyl-2-pyridin-3-ylpropyl)propanamide
CID 115154800
4-amino-2,2-dimethyl-N-(2-methyl-2-pyridin-3-ylpropyl)butanamide
CID 115157165

Frequently Asked Questions

What is the IUPAC name of 2-pyridin-3-yl-2-(1,2,4-triazol-1-yl)propan-1-amine?
The IUPAC name of 2-pyridin-3-yl-2-(1,2,4-triazol-1-yl)propan-1-amine (CID 82506560) is 2-pyridin-3-yl-2-(1,2,4-triazol-1-yl)propan-1-amine.
What is the SMILES notation for 2-pyridin-3-yl-2-(1,2,4-triazol-1-yl)propan-1-amine?
The canonical SMILES for 2-pyridin-3-yl-2-(1,2,4-triazol-1-yl)propan-1-amine is CC(CN)(c1cccnc1)n1cncn1.
What is the InChIKey of 2-pyridin-3-yl-2-(1,2,4-triazol-1-yl)propan-1-amine?
The InChIKey is IXAQTOHBDSNCBX-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H13N5/c1-10(6-11,15-8-13-7-14-15)9-3-2-4-12-5-9/h2-5,7-8H,6,11H2,1H3.
What are the key properties of 2-pyridin-3-yl-2-(1,2,4-triazol-1-yl)propan-1-amine?
2-pyridin-3-yl-2-(1,2,4-triazol-1-yl)propan-1-amine has a molecular weight of 203.25 g/mol, XLogP of 0.40, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-pyridin-3-yl-2-(1,2,4-triazol-1-yl)propan-1-amine is sourced from PubChem (CID 82506560), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).