2-(4-methyl-2-pyridinyl)-1,2,4-triazol-3-amine

C8H9N5 — CID 62678485

IUPAC2-(4-methyl-2-pyridinyl)-1,2,4-triazol-3-amine
SMILESCc1ccnc(-n2ncnc2N)c1
InChIInChI=1S/C8H9N5/c1-6-2-3-10-7(4-6)13-8(9)11-5-12-13/h2-5H,1H3,(H2,9,11,12)
InChIKeyBTUGVYOYPYBIMU-UHFFFAOYSA-N
MW175.19 g/mol
LogP0.55
Rot. Bonds1

About 2-(4-methyl-2-pyridinyl)-1,2,4-triazol-3-amine

2-(4-methyl-2-pyridinyl)-1,2,4-triazol-3-amine (PubChem CID 62678485) has the molecular formula C8H9N5 and a molecular weight of 175.19 g/mol. Its IUPAC name is 2-(4-methyl-2-pyridinyl)-1,2,4-triazol-3-amine.

Molecular Properties

Compound Name2-(4-methyl-2-pyridinyl)-1,2,4-triazol-3-amine
PubChem CID62678485
Molecular FormulaC8H9N5
Molecular Weight175.19 g/mol
Exact Mass175.09
IUPAC Name2-(4-methyl-2-pyridinyl)-1,2,4-triazol-3-amine
SMILESCc1ccnc(-n2ncnc2N)c1
InChIInChI=1S/C8H9N5/c1-6-2-3-10-7(4-6)13-8(9)11-5-12-13/h2-5H,1H3,(H2,9,11,12)
InChIKeyBTUGVYOYPYBIMU-UHFFFAOYSA-N
XLogP0.55
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 ≤ 50.55
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-(4-methyl-2-pyridinyl)-1,2,4-triazol-3-amine?
The IUPAC name of 2-(4-methyl-2-pyridinyl)-1,2,4-triazol-3-amine (CID 62678485) is 2-(4-methyl-2-pyridinyl)-1,2,4-triazol-3-amine.
What is the SMILES notation for 2-(4-methyl-2-pyridinyl)-1,2,4-triazol-3-amine?
The canonical SMILES for 2-(4-methyl-2-pyridinyl)-1,2,4-triazol-3-amine is Cc1ccnc(-n2ncnc2N)c1.
What is the InChIKey of 2-(4-methyl-2-pyridinyl)-1,2,4-triazol-3-amine?
The InChIKey is BTUGVYOYPYBIMU-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H9N5/c1-6-2-3-10-7(4-6)13-8(9)11-5-12-13/h2-5H,1H3,(H2,9,11,12).
What are the key properties of 2-(4-methyl-2-pyridinyl)-1,2,4-triazol-3-amine?
2-(4-methyl-2-pyridinyl)-1,2,4-triazol-3-amine has a molecular weight of 175.19 g/mol, XLogP of 0.55, 1 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-methyl-2-pyridinyl)-1,2,4-triazol-3-amine is sourced from PubChem (CID 62678485), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).