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

C15H22N6 — CID 43691551

IUPACN-(1-propylpiperidin-4-yl)-6-(1,2,4-triazol-1-yl)pyridin-3-amine
SMILESCCCN1CCC(Nc2ccc(-n3cncn3)nc2)CC1
InChIInChI=1S/C15H22N6/c1-2-7-20-8-5-13(6-9-20)19-14-3-4-15(17-10-14)21-12-16-11-18-21/h3-4,10-13,19H,2,5-9H2,1H3
InChIKeyPYLAPSPEEMESGL-UHFFFAOYSA-N
MW286.38 g/mol
LogP1.95
Rot. Bonds5

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

N-(1-propylpiperidin-4-yl)-6-(1,2,4-triazol-1-yl)pyridin-3-amine (PubChem CID 43691551) has the molecular formula C15H22N6 and a molecular weight of 286.38 g/mol. Its IUPAC name is N-(1-propylpiperidin-4-yl)-6-(1,2,4-triazol-1-yl)pyridin-3-amine.

Molecular Properties

Compound NameN-(1-propylpiperidin-4-yl)-6-(1,2,4-triazol-1-yl)pyridin-3-amine
PubChem CID43691551
Molecular FormulaC15H22N6
Molecular Weight286.38 g/mol
Exact Mass286.19
IUPAC NameN-(1-propylpiperidin-4-yl)-6-(1,2,4-triazol-1-yl)pyridin-3-amine
SMILESCCCN1CCC(Nc2ccc(-n3cncn3)nc2)CC1
InChIInChI=1S/C15H22N6/c1-2-7-20-8-5-13(6-9-20)19-14-3-4-15(17-10-14)21-12-16-11-18-21/h3-4,10-13,19H,2,5-9H2,1H3
InChIKeyPYLAPSPEEMESGL-UHFFFAOYSA-N
XLogP1.95
TPSA58.87 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500286.38
LogP ≤ 51.95
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of N-(1-propylpiperidin-4-yl)-6-(1,2,4-triazol-1-yl)pyridin-3-amine?
The IUPAC name of N-(1-propylpiperidin-4-yl)-6-(1,2,4-triazol-1-yl)pyridin-3-amine (CID 43691551) is N-(1-propylpiperidin-4-yl)-6-(1,2,4-triazol-1-yl)pyridin-3-amine.
What is the SMILES notation for N-(1-propylpiperidin-4-yl)-6-(1,2,4-triazol-1-yl)pyridin-3-amine?
The canonical SMILES for N-(1-propylpiperidin-4-yl)-6-(1,2,4-triazol-1-yl)pyridin-3-amine is CCCN1CCC(Nc2ccc(-n3cncn3)nc2)CC1.
What is the InChIKey of N-(1-propylpiperidin-4-yl)-6-(1,2,4-triazol-1-yl)pyridin-3-amine?
The InChIKey is PYLAPSPEEMESGL-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H22N6/c1-2-7-20-8-5-13(6-9-20)19-14-3-4-15(17-10-14)21-12-16-11-18-21/h3-4,10-13,19H,2,5-9H2,1H3.
What are the key properties of N-(1-propylpiperidin-4-yl)-6-(1,2,4-triazol-1-yl)pyridin-3-amine?
N-(1-propylpiperidin-4-yl)-6-(1,2,4-triazol-1-yl)pyridin-3-amine has a molecular weight of 286.38 g/mol, XLogP of 1.95, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1-propylpiperidin-4-yl)-6-(1,2,4-triazol-1-yl)pyridin-3-amine is sourced from PubChem (CID 43691551), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).