4-(3-amino-1H-1,2,4-triazol-5-yl)pyridine-2,6-diamine

C7H9N7 — CID 12889444

IUPAC4-(3-amino-1H-1,2,4-triazol-5-yl)pyridine-2,6-diamine
SMILESNc1cc(-c2nc(N)n[nH]2)cc(N)n1
InChIInChI=1S/C7H9N7/c8-4-1-3(2-5(9)11-4)6-12-7(10)14-13-6/h1-2H,(H4,8,9,11)(H3,10,12,13,14)
InChIKeyNLXKLVDSIDEEAE-UHFFFAOYSA-N
MW191.20 g/mol
LogP-0.39
Rot. Bonds1

About 4-(3-amino-1H-1,2,4-triazol-5-yl)pyridine-2,6-diamine

4-(3-amino-1H-1,2,4-triazol-5-yl)pyridine-2,6-diamine (PubChem CID 12889444) has the molecular formula C7H9N7 and a molecular weight of 191.20 g/mol. Its IUPAC name is 4-(3-amino-1H-1,2,4-triazol-5-yl)pyridine-2,6-diamine.

Molecular Properties

Compound Name4-(3-amino-1H-1,2,4-triazol-5-yl)pyridine-2,6-diamine
PubChem CID12889444
Molecular FormulaC7H9N7
Molecular Weight191.20 g/mol
Exact Mass191.09
IUPAC Name4-(3-amino-1H-1,2,4-triazol-5-yl)pyridine-2,6-diamine
SMILESNc1cc(-c2nc(N)n[nH]2)cc(N)n1
InChIInChI=1S/C7H9N7/c8-4-1-3(2-5(9)11-4)6-12-7(10)14-13-6/h1-2H,(H4,8,9,11)(H3,10,12,13,14)
InChIKeyNLXKLVDSIDEEAE-UHFFFAOYSA-N
XLogP-0.39
TPSA132.52 Ų
H-Bond Donors4
H-Bond Acceptors6
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500191.20
LogP ≤ 5-0.39
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 4-(3-amino-1H-1,2,4-triazol-5-yl)pyridine-2,6-diamine?
The IUPAC name of 4-(3-amino-1H-1,2,4-triazol-5-yl)pyridine-2,6-diamine (CID 12889444) is 4-(3-amino-1H-1,2,4-triazol-5-yl)pyridine-2,6-diamine.
What is the SMILES notation for 4-(3-amino-1H-1,2,4-triazol-5-yl)pyridine-2,6-diamine?
The canonical SMILES for 4-(3-amino-1H-1,2,4-triazol-5-yl)pyridine-2,6-diamine is Nc1cc(-c2nc(N)n[nH]2)cc(N)n1.
What is the InChIKey of 4-(3-amino-1H-1,2,4-triazol-5-yl)pyridine-2,6-diamine?
The InChIKey is NLXKLVDSIDEEAE-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H9N7/c8-4-1-3(2-5(9)11-4)6-12-7(10)14-13-6/h1-2H,(H4,8,9,11)(H3,10,12,13,14).
What are the key properties of 4-(3-amino-1H-1,2,4-triazol-5-yl)pyridine-2,6-diamine?
4-(3-amino-1H-1,2,4-triazol-5-yl)pyridine-2,6-diamine has a molecular weight of 191.20 g/mol, XLogP of -0.39, 1 rotatable bonds, 4 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(3-amino-1H-1,2,4-triazol-5-yl)pyridine-2,6-diamine is sourced from PubChem (CID 12889444), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).