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

C8H9N5 — CID 63260041

IUPAC5-(5-methyl-1H-1,2,4-triazol-3-yl)pyridin-2-amine
SMILESCc1nc(-c2ccc(N)nc2)n[nH]1
InChIInChI=1S/C8H9N5/c1-5-11-8(13-12-5)6-2-3-7(9)10-4-6/h2-4H,1H3,(H2,9,10)(H,11,12,13)
InChIKeyAUNMGGXHJJJNFW-UHFFFAOYSA-N
MW175.19 g/mol
LogP0.76
Rot. Bonds1

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

5-(5-methyl-1H-1,2,4-triazol-3-yl)pyridin-2-amine (PubChem CID 63260041) has the molecular formula C8H9N5 and a molecular weight of 175.19 g/mol. Its IUPAC name is 5-(5-methyl-1H-1,2,4-triazol-3-yl)pyridin-2-amine.

Molecular Properties

Compound Name5-(5-methyl-1H-1,2,4-triazol-3-yl)pyridin-2-amine
PubChem CID63260041
Molecular FormulaC8H9N5
Molecular Weight175.19 g/mol
Exact Mass175.09
IUPAC Name5-(5-methyl-1H-1,2,4-triazol-3-yl)pyridin-2-amine
SMILESCc1nc(-c2ccc(N)nc2)n[nH]1
InChIInChI=1S/C8H9N5/c1-5-11-8(13-12-5)6-2-3-7(9)10-4-6/h2-4H,1H3,(H2,9,10)(H,11,12,13)
InChIKeyAUNMGGXHJJJNFW-UHFFFAOYSA-N
XLogP0.76
TPSA80.48 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500175.19
LogP ≤ 50.76
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 5-(5-methyl-1H-1,2,4-triazol-3-yl)pyridin-2-amine?
The IUPAC name of 5-(5-methyl-1H-1,2,4-triazol-3-yl)pyridin-2-amine (CID 63260041) is 5-(5-methyl-1H-1,2,4-triazol-3-yl)pyridin-2-amine.
What is the SMILES notation for 5-(5-methyl-1H-1,2,4-triazol-3-yl)pyridin-2-amine?
The canonical SMILES for 5-(5-methyl-1H-1,2,4-triazol-3-yl)pyridin-2-amine is Cc1nc(-c2ccc(N)nc2)n[nH]1.
What is the InChIKey of 5-(5-methyl-1H-1,2,4-triazol-3-yl)pyridin-2-amine?
The InChIKey is AUNMGGXHJJJNFW-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H9N5/c1-5-11-8(13-12-5)6-2-3-7(9)10-4-6/h2-4H,1H3,(H2,9,10)(H,11,12,13).
What are the key properties of 5-(5-methyl-1H-1,2,4-triazol-3-yl)pyridin-2-amine?
5-(5-methyl-1H-1,2,4-triazol-3-yl)pyridin-2-amine has a molecular weight of 175.19 g/mol, XLogP of 0.76, 1 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(5-methyl-1H-1,2,4-triazol-3-yl)pyridin-2-amine is sourced from PubChem (CID 63260041), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).