5-(5,6-dimethyl-2-pyridinyl)-1H-1,2,4-triazol-3-amine

C9H11N5 — CID 131187800

IUPAC5-(5,6-dimethyl-2-pyridinyl)-1H-1,2,4-triazol-3-amine
SMILESCc1ccc(-c2nc(N)n[nH]2)nc1C
InChIInChI=1S/C9H11N5/c1-5-3-4-7(11-6(5)2)8-12-9(10)14-13-8/h3-4H,1-2H3,(H3,10,12,13,14)
InChIKeyXNTWGCLBSPYPGR-UHFFFAOYSA-N
MW189.22 g/mol
LogP1.07
Rot. Bonds1

About 5-(5,6-dimethyl-2-pyridinyl)-1H-1,2,4-triazol-3-amine

5-(5,6-dimethyl-2-pyridinyl)-1H-1,2,4-triazol-3-amine (PubChem CID 131187800) has the molecular formula C9H11N5 and a molecular weight of 189.22 g/mol. Its IUPAC name is 5-(5,6-dimethyl-2-pyridinyl)-1H-1,2,4-triazol-3-amine.

Molecular Properties

Compound Name5-(5,6-dimethyl-2-pyridinyl)-1H-1,2,4-triazol-3-amine
PubChem CID131187800
Molecular FormulaC9H11N5
Molecular Weight189.22 g/mol
Exact Mass189.10
IUPAC Name5-(5,6-dimethyl-2-pyridinyl)-1H-1,2,4-triazol-3-amine
SMILESCc1ccc(-c2nc(N)n[nH]2)nc1C
InChIInChI=1S/C9H11N5/c1-5-3-4-7(11-6(5)2)8-12-9(10)14-13-8/h3-4H,1-2H3,(H3,10,12,13,14)
InChIKeyXNTWGCLBSPYPGR-UHFFFAOYSA-N
XLogP1.07
TPSA80.48 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500189.22
LogP ≤ 51.07
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 5-(5,6-dimethyl-2-pyridinyl)-1H-1,2,4-triazol-3-amine?
The IUPAC name of 5-(5,6-dimethyl-2-pyridinyl)-1H-1,2,4-triazol-3-amine (CID 131187800) is 5-(5,6-dimethyl-2-pyridinyl)-1H-1,2,4-triazol-3-amine.
What is the SMILES notation for 5-(5,6-dimethyl-2-pyridinyl)-1H-1,2,4-triazol-3-amine?
The canonical SMILES for 5-(5,6-dimethyl-2-pyridinyl)-1H-1,2,4-triazol-3-amine is Cc1ccc(-c2nc(N)n[nH]2)nc1C.
What is the InChIKey of 5-(5,6-dimethyl-2-pyridinyl)-1H-1,2,4-triazol-3-amine?
The InChIKey is XNTWGCLBSPYPGR-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H11N5/c1-5-3-4-7(11-6(5)2)8-12-9(10)14-13-8/h3-4H,1-2H3,(H3,10,12,13,14).
What are the key properties of 5-(5,6-dimethyl-2-pyridinyl)-1H-1,2,4-triazol-3-amine?
5-(5,6-dimethyl-2-pyridinyl)-1H-1,2,4-triazol-3-amine has a molecular weight of 189.22 g/mol, XLogP of 1.07, 1 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(5,6-dimethyl-2-pyridinyl)-1H-1,2,4-triazol-3-amine is sourced from PubChem (CID 131187800), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).