N-(1-cyclopropylpropyl)-6-(1,2,4-triazol-1-yl)pyridin-3-amine

C13H17N5 — CID 64917769

IUPACN-(1-cyclopropylpropyl)-6-(1,2,4-triazol-1-yl)pyridin-3-amine
SMILESCCC(Nc1ccc(-n2cncn2)nc1)C1CC1
InChIInChI=1S/C13H17N5/c1-2-12(10-3-4-10)17-11-5-6-13(15-7-11)18-9-14-8-16-18/h5-10,12,17H,2-4H2,1H3
InChIKeyJYBPZJARHOLDHX-UHFFFAOYSA-N
MW243.31 g/mol
LogP2.26
Rot. Bonds5

About N-(1-cyclopropylpropyl)-6-(1,2,4-triazol-1-yl)pyridin-3-amine

N-(1-cyclopropylpropyl)-6-(1,2,4-triazol-1-yl)pyridin-3-amine (PubChem CID 64917769) has the molecular formula C13H17N5 and a molecular weight of 243.31 g/mol. Its IUPAC name is N-(1-cyclopropylpropyl)-6-(1,2,4-triazol-1-yl)pyridin-3-amine.

Molecular Properties

Compound NameN-(1-cyclopropylpropyl)-6-(1,2,4-triazol-1-yl)pyridin-3-amine
PubChem CID64917769
Molecular FormulaC13H17N5
Molecular Weight243.31 g/mol
Exact Mass243.15
IUPAC NameN-(1-cyclopropylpropyl)-6-(1,2,4-triazol-1-yl)pyridin-3-amine
SMILESCCC(Nc1ccc(-n2cncn2)nc1)C1CC1
InChIInChI=1S/C13H17N5/c1-2-12(10-3-4-10)17-11-5-6-13(15-7-11)18-9-14-8-16-18/h5-10,12,17H,2-4H2,1H3
InChIKeyJYBPZJARHOLDHX-UHFFFAOYSA-N
XLogP2.26
TPSA55.63 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500243.31
LogP ≤ 52.26
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-(1-cyclopropylpropyl)-6-(1,2,4-triazol-1-yl)pyridin-3-amine?
The IUPAC name of N-(1-cyclopropylpropyl)-6-(1,2,4-triazol-1-yl)pyridin-3-amine (CID 64917769) is N-(1-cyclopropylpropyl)-6-(1,2,4-triazol-1-yl)pyridin-3-amine.
What is the SMILES notation for N-(1-cyclopropylpropyl)-6-(1,2,4-triazol-1-yl)pyridin-3-amine?
The canonical SMILES for N-(1-cyclopropylpropyl)-6-(1,2,4-triazol-1-yl)pyridin-3-amine is CCC(Nc1ccc(-n2cncn2)nc1)C1CC1.
What is the InChIKey of N-(1-cyclopropylpropyl)-6-(1,2,4-triazol-1-yl)pyridin-3-amine?
The InChIKey is JYBPZJARHOLDHX-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17N5/c1-2-12(10-3-4-10)17-11-5-6-13(15-7-11)18-9-14-8-16-18/h5-10,12,17H,2-4H2,1H3.
What are the key properties of N-(1-cyclopropylpropyl)-6-(1,2,4-triazol-1-yl)pyridin-3-amine?
N-(1-cyclopropylpropyl)-6-(1,2,4-triazol-1-yl)pyridin-3-amine has a molecular weight of 243.31 g/mol, XLogP of 2.26, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1-cyclopropylpropyl)-6-(1,2,4-triazol-1-yl)pyridin-3-amine is sourced from PubChem (CID 64917769), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).