2-(4-piperidin-3-yltriazol-1-yl)pyridin-4-amine

C12H16N6 — CID 167960921

IUPAC2-(4-piperidin-3-yltriazol-1-yl)pyridin-4-amine
SMILESNc1ccnc(-n2cc(C3CCCNC3)nn2)c1
InChIInChI=1S/C12H16N6/c13-10-3-5-15-12(6-10)18-8-11(16-17-18)9-2-1-4-14-7-9/h3,5-6,8-9,14H,1-2,4,7H2,(H2,13,15)
InChIKeyQWJXMSWYALBTKF-UHFFFAOYSA-N
MW244.30 g/mol
LogP0.71
Rot. Bonds2

About 2-(4-piperidin-3-yltriazol-1-yl)pyridin-4-amine

2-(4-piperidin-3-yltriazol-1-yl)pyridin-4-amine (PubChem CID 167960921) has the molecular formula C12H16N6 and a molecular weight of 244.30 g/mol. Its IUPAC name is 2-(4-piperidin-3-yltriazol-1-yl)pyridin-4-amine.

Molecular Properties

Compound Name2-(4-piperidin-3-yltriazol-1-yl)pyridin-4-amine
PubChem CID167960921
Molecular FormulaC12H16N6
Molecular Weight244.30 g/mol
Exact Mass244.14
IUPAC Name2-(4-piperidin-3-yltriazol-1-yl)pyridin-4-amine
SMILESNc1ccnc(-n2cc(C3CCCNC3)nn2)c1
InChIInChI=1S/C12H16N6/c13-10-3-5-15-12(6-10)18-8-11(16-17-18)9-2-1-4-14-7-9/h3,5-6,8-9,14H,1-2,4,7H2,(H2,13,15)
InChIKeyQWJXMSWYALBTKF-UHFFFAOYSA-N
XLogP0.71
TPSA81.65 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500244.30
LogP ≤ 50.71
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 2-(4-piperidin-3-yltriazol-1-yl)pyridin-4-amine?
The IUPAC name of 2-(4-piperidin-3-yltriazol-1-yl)pyridin-4-amine (CID 167960921) is 2-(4-piperidin-3-yltriazol-1-yl)pyridin-4-amine.
What is the SMILES notation for 2-(4-piperidin-3-yltriazol-1-yl)pyridin-4-amine?
The canonical SMILES for 2-(4-piperidin-3-yltriazol-1-yl)pyridin-4-amine is Nc1ccnc(-n2cc(C3CCCNC3)nn2)c1.
What is the InChIKey of 2-(4-piperidin-3-yltriazol-1-yl)pyridin-4-amine?
The InChIKey is QWJXMSWYALBTKF-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H16N6/c13-10-3-5-15-12(6-10)18-8-11(16-17-18)9-2-1-4-14-7-9/h3,5-6,8-9,14H,1-2,4,7H2,(H2,13,15).
What are the key properties of 2-(4-piperidin-3-yltriazol-1-yl)pyridin-4-amine?
2-(4-piperidin-3-yltriazol-1-yl)pyridin-4-amine has a molecular weight of 244.30 g/mol, XLogP of 0.71, 2 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-piperidin-3-yltriazol-1-yl)pyridin-4-amine is sourced from PubChem (CID 167960921), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).