5-(1-methyltriazol-4-yl)pyridin-3-amine

C8H9N5 — CID 130602643

IUPAC5-(1-methyltriazol-4-yl)pyridin-3-amine
SMILESCn1cc(-c2cncc(N)c2)nn1
InChIInChI=1S/C8H9N5/c1-13-5-8(11-12-13)6-2-7(9)4-10-3-6/h2-5H,9H2,1H3
InChIKeyHDPTYCCMGXFWHC-UHFFFAOYSA-N
MW175.19 g/mol
LogP0.46
Rot. Bonds1

About 5-(1-methyltriazol-4-yl)pyridin-3-amine

5-(1-methyltriazol-4-yl)pyridin-3-amine (PubChem CID 130602643) has the molecular formula C8H9N5 and a molecular weight of 175.19 g/mol. Its IUPAC name is 5-(1-methyltriazol-4-yl)pyridin-3-amine.

Molecular Properties

Compound Name5-(1-methyltriazol-4-yl)pyridin-3-amine
PubChem CID130602643
Molecular FormulaC8H9N5
Molecular Weight175.19 g/mol
Exact Mass175.09
IUPAC Name5-(1-methyltriazol-4-yl)pyridin-3-amine
SMILESCn1cc(-c2cncc(N)c2)nn1
InChIInChI=1S/C8H9N5/c1-13-5-8(11-12-13)6-2-7(9)4-10-3-6/h2-5H,9H2,1H3
InChIKeyHDPTYCCMGXFWHC-UHFFFAOYSA-N
XLogP0.46
TPSA69.62 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500175.19
LogP ≤ 50.46
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 5-(1-methyltriazol-4-yl)pyridin-3-amine?
The IUPAC name of 5-(1-methyltriazol-4-yl)pyridin-3-amine (CID 130602643) is 5-(1-methyltriazol-4-yl)pyridin-3-amine.
What is the SMILES notation for 5-(1-methyltriazol-4-yl)pyridin-3-amine?
The canonical SMILES for 5-(1-methyltriazol-4-yl)pyridin-3-amine is Cn1cc(-c2cncc(N)c2)nn1.
What is the InChIKey of 5-(1-methyltriazol-4-yl)pyridin-3-amine?
The InChIKey is HDPTYCCMGXFWHC-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H9N5/c1-13-5-8(11-12-13)6-2-7(9)4-10-3-6/h2-5H,9H2,1H3.
What are the key properties of 5-(1-methyltriazol-4-yl)pyridin-3-amine?
5-(1-methyltriazol-4-yl)pyridin-3-amine has a molecular weight of 175.19 g/mol, XLogP of 0.46, 1 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(1-methyltriazol-4-yl)pyridin-3-amine is sourced from PubChem (CID 130602643), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).