5-(5-propyl-1H-1,2,4-triazol-3-yl)pyridin-3-amine

C10H13N5 — CID 63154678

IUPAC5-(5-propyl-1H-1,2,4-triazol-3-yl)pyridin-3-amine
SMILESCCCc1nc(-c2cncc(N)c2)n[nH]1
InChIInChI=1S/C10H13N5/c1-2-3-9-13-10(15-14-9)7-4-8(11)6-12-5-7/h4-6H,2-3,11H2,1H3,(H,13,14,15)
InChIKeyXHDZKFSUDIRMTH-UHFFFAOYSA-N
MW203.25 g/mol
LogP1.40
Rot. Bonds3

About 5-(5-propyl-1H-1,2,4-triazol-3-yl)pyridin-3-amine

5-(5-propyl-1H-1,2,4-triazol-3-yl)pyridin-3-amine (PubChem CID 63154678) has the molecular formula C10H13N5 and a molecular weight of 203.25 g/mol. Its IUPAC name is 5-(5-propyl-1H-1,2,4-triazol-3-yl)pyridin-3-amine.

Molecular Properties

Compound Name5-(5-propyl-1H-1,2,4-triazol-3-yl)pyridin-3-amine
PubChem CID63154678
Molecular FormulaC10H13N5
Molecular Weight203.25 g/mol
Exact Mass203.12
IUPAC Name5-(5-propyl-1H-1,2,4-triazol-3-yl)pyridin-3-amine
SMILESCCCc1nc(-c2cncc(N)c2)n[nH]1
InChIInChI=1S/C10H13N5/c1-2-3-9-13-10(15-14-9)7-4-8(11)6-12-5-7/h4-6H,2-3,11H2,1H3,(H,13,14,15)
InChIKeyXHDZKFSUDIRMTH-UHFFFAOYSA-N
XLogP1.40
TPSA80.48 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500203.25
LogP ≤ 51.40
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 5-(5-propyl-1H-1,2,4-triazol-3-yl)pyridin-3-amine?
The IUPAC name of 5-(5-propyl-1H-1,2,4-triazol-3-yl)pyridin-3-amine (CID 63154678) is 5-(5-propyl-1H-1,2,4-triazol-3-yl)pyridin-3-amine.
What is the SMILES notation for 5-(5-propyl-1H-1,2,4-triazol-3-yl)pyridin-3-amine?
The canonical SMILES for 5-(5-propyl-1H-1,2,4-triazol-3-yl)pyridin-3-amine is CCCc1nc(-c2cncc(N)c2)n[nH]1.
What is the InChIKey of 5-(5-propyl-1H-1,2,4-triazol-3-yl)pyridin-3-amine?
The InChIKey is XHDZKFSUDIRMTH-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H13N5/c1-2-3-9-13-10(15-14-9)7-4-8(11)6-12-5-7/h4-6H,2-3,11H2,1H3,(H,13,14,15).
What are the key properties of 5-(5-propyl-1H-1,2,4-triazol-3-yl)pyridin-3-amine?
5-(5-propyl-1H-1,2,4-triazol-3-yl)pyridin-3-amine has a molecular weight of 203.25 g/mol, XLogP of 1.40, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(5-propyl-1H-1,2,4-triazol-3-yl)pyridin-3-amine is sourced from PubChem (CID 63154678), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).