[5-pyridin-3-yl-1-(2-pyrrolidin-1-ylethyl)triazol-4-yl]methanamine

C14H20N6 — CID 82211157

IUPAC[5-pyridin-3-yl-1-(2-pyrrolidin-1-ylethyl)triazol-4-yl]methanamine
SMILESNCc1nnn(CCN2CCCC2)c1-c1cccnc1
InChIInChI=1S/C14H20N6/c15-10-13-14(12-4-3-5-16-11-12)20(18-17-13)9-8-19-6-1-2-7-19/h3-5,11H,1-2,6-10,15H2
InChIKeyPRMMORYPLPESEF-UHFFFAOYSA-N
MW272.36 g/mol
LogP0.89
Rot. Bonds5

About [5-pyridin-3-yl-1-(2-pyrrolidin-1-ylethyl)triazol-4-yl]methanamine

[5-pyridin-3-yl-1-(2-pyrrolidin-1-ylethyl)triazol-4-yl]methanamine (PubChem CID 82211157) has the molecular formula C14H20N6 and a molecular weight of 272.36 g/mol. Its IUPAC name is [5-pyridin-3-yl-1-(2-pyrrolidin-1-ylethyl)triazol-4-yl]methanamine.

Molecular Properties

Compound Name[5-pyridin-3-yl-1-(2-pyrrolidin-1-ylethyl)triazol-4-yl]methanamine
PubChem CID82211157
Molecular FormulaC14H20N6
Molecular Weight272.36 g/mol
Exact Mass272.17
IUPAC Name[5-pyridin-3-yl-1-(2-pyrrolidin-1-ylethyl)triazol-4-yl]methanamine
SMILESNCc1nnn(CCN2CCCC2)c1-c1cccnc1
InChIInChI=1S/C14H20N6/c15-10-13-14(12-4-3-5-16-11-12)20(18-17-13)9-8-19-6-1-2-7-19/h3-5,11H,1-2,6-10,15H2
InChIKeyPRMMORYPLPESEF-UHFFFAOYSA-N
XLogP0.89
TPSA72.86 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500272.36
LogP ≤ 50.89
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of [5-pyridin-3-yl-1-(2-pyrrolidin-1-ylethyl)triazol-4-yl]methanamine?
The IUPAC name of [5-pyridin-3-yl-1-(2-pyrrolidin-1-ylethyl)triazol-4-yl]methanamine (CID 82211157) is [5-pyridin-3-yl-1-(2-pyrrolidin-1-ylethyl)triazol-4-yl]methanamine.
What is the SMILES notation for [5-pyridin-3-yl-1-(2-pyrrolidin-1-ylethyl)triazol-4-yl]methanamine?
The canonical SMILES for [5-pyridin-3-yl-1-(2-pyrrolidin-1-ylethyl)triazol-4-yl]methanamine is NCc1nnn(CCN2CCCC2)c1-c1cccnc1.
What is the InChIKey of [5-pyridin-3-yl-1-(2-pyrrolidin-1-ylethyl)triazol-4-yl]methanamine?
The InChIKey is PRMMORYPLPESEF-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20N6/c15-10-13-14(12-4-3-5-16-11-12)20(18-17-13)9-8-19-6-1-2-7-19/h3-5,11H,1-2,6-10,15H2.
What are the key properties of [5-pyridin-3-yl-1-(2-pyrrolidin-1-ylethyl)triazol-4-yl]methanamine?
[5-pyridin-3-yl-1-(2-pyrrolidin-1-ylethyl)triazol-4-yl]methanamine has a molecular weight of 272.36 g/mol, XLogP of 0.89, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for [5-pyridin-3-yl-1-(2-pyrrolidin-1-ylethyl)triazol-4-yl]methanamine is sourced from PubChem (CID 82211157), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).