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

C7H10N6 — CID 23454792

IUPAC2-(3-amino-1H-1,2,4-triazol-5-yl)-1H-pyridin-2-amine
SMILESNc1n[nH]c(C2(N)C=CC=CN2)n1
InChIInChI=1S/C7H10N6/c8-6-11-5(12-13-6)7(9)3-1-2-4-10-7/h1-4,10H,9H2,(H3,8,11,12,13)
InChIKeyKQOBEFKESHAAFJ-UHFFFAOYSA-N
MW178.20 g/mol
LogP-0.83
Rot. Bonds1

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

2-(3-amino-1H-1,2,4-triazol-5-yl)-1H-pyridin-2-amine (PubChem CID 23454792) has the molecular formula C7H10N6 and a molecular weight of 178.20 g/mol. Its IUPAC name is 2-(3-amino-1H-1,2,4-triazol-5-yl)-1H-pyridin-2-amine.

Molecular Properties

Compound Name2-(3-amino-1H-1,2,4-triazol-5-yl)-1H-pyridin-2-amine
PubChem CID23454792
Molecular FormulaC7H10N6
Molecular Weight178.20 g/mol
Exact Mass178.10
IUPAC Name2-(3-amino-1H-1,2,4-triazol-5-yl)-1H-pyridin-2-amine
SMILESNc1n[nH]c(C2(N)C=CC=CN2)n1
InChIInChI=1S/C7H10N6/c8-6-11-5(12-13-6)7(9)3-1-2-4-10-7/h1-4,10H,9H2,(H3,8,11,12,13)
InChIKeyKQOBEFKESHAAFJ-UHFFFAOYSA-N
XLogP-0.83
TPSA105.64 Ų
H-Bond Donors4
H-Bond Acceptors5
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500178.20
LogP ≤ 5-0.83
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-(3-amino-1H-1,2,4-triazol-5-yl)-1H-pyridin-2-amine?
The IUPAC name of 2-(3-amino-1H-1,2,4-triazol-5-yl)-1H-pyridin-2-amine (CID 23454792) is 2-(3-amino-1H-1,2,4-triazol-5-yl)-1H-pyridin-2-amine.
What is the SMILES notation for 2-(3-amino-1H-1,2,4-triazol-5-yl)-1H-pyridin-2-amine?
The canonical SMILES for 2-(3-amino-1H-1,2,4-triazol-5-yl)-1H-pyridin-2-amine is Nc1n[nH]c(C2(N)C=CC=CN2)n1.
What is the InChIKey of 2-(3-amino-1H-1,2,4-triazol-5-yl)-1H-pyridin-2-amine?
The InChIKey is KQOBEFKESHAAFJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H10N6/c8-6-11-5(12-13-6)7(9)3-1-2-4-10-7/h1-4,10H,9H2,(H3,8,11,12,13).
What are the key properties of 2-(3-amino-1H-1,2,4-triazol-5-yl)-1H-pyridin-2-amine?
2-(3-amino-1H-1,2,4-triazol-5-yl)-1H-pyridin-2-amine has a molecular weight of 178.20 g/mol, XLogP of -0.83, 1 rotatable bonds, 4 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-amino-1H-1,2,4-triazol-5-yl)-1H-pyridin-2-amine is sourced from PubChem (CID 23454792), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).