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

C6H8N6 — CID 28742868

IUPAC5-(1-methylpyrazol-4-yl)-1H-1,2,4-triazol-3-amine
SMILESCn1cc(-c2nc(N)n[nH]2)cn1
InChIInChI=1S/C6H8N6/c1-12-3-4(2-8-12)5-9-6(7)11-10-5/h2-3H,1H3,(H3,7,9,10,11)
InChIKeyYGRJLYWCICJPHT-UHFFFAOYSA-N
MW164.17 g/mol
LogP-0.21
Rot. Bonds1

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

5-(1-methylpyrazol-4-yl)-1H-1,2,4-triazol-3-amine (PubChem CID 28742868) has the molecular formula C6H8N6 and a molecular weight of 164.17 g/mol. Its IUPAC name is 5-(1-methylpyrazol-4-yl)-1H-1,2,4-triazol-3-amine.

Molecular Properties

Compound Name5-(1-methylpyrazol-4-yl)-1H-1,2,4-triazol-3-amine
PubChem CID28742868
Molecular FormulaC6H8N6
Molecular Weight164.17 g/mol
Exact Mass164.08
IUPAC Name5-(1-methylpyrazol-4-yl)-1H-1,2,4-triazol-3-amine
SMILESCn1cc(-c2nc(N)n[nH]2)cn1
InChIInChI=1S/C6H8N6/c1-12-3-4(2-8-12)5-9-6(7)11-10-5/h2-3H,1H3,(H3,7,9,10,11)
InChIKeyYGRJLYWCICJPHT-UHFFFAOYSA-N
XLogP-0.21
TPSA85.41 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds1
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500164.17
LogP ≤ 5-0.21
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 5-(1-methylpyrazol-4-yl)-1H-1,2,4-triazol-3-amine?
The IUPAC name of 5-(1-methylpyrazol-4-yl)-1H-1,2,4-triazol-3-amine (CID 28742868) is 5-(1-methylpyrazol-4-yl)-1H-1,2,4-triazol-3-amine.
What is the SMILES notation for 5-(1-methylpyrazol-4-yl)-1H-1,2,4-triazol-3-amine?
The canonical SMILES for 5-(1-methylpyrazol-4-yl)-1H-1,2,4-triazol-3-amine is Cn1cc(-c2nc(N)n[nH]2)cn1.
What is the InChIKey of 5-(1-methylpyrazol-4-yl)-1H-1,2,4-triazol-3-amine?
The InChIKey is YGRJLYWCICJPHT-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H8N6/c1-12-3-4(2-8-12)5-9-6(7)11-10-5/h2-3H,1H3,(H3,7,9,10,11).
What are the key properties of 5-(1-methylpyrazol-4-yl)-1H-1,2,4-triazol-3-amine?
5-(1-methylpyrazol-4-yl)-1H-1,2,4-triazol-3-amine has a molecular weight of 164.17 g/mol, XLogP of -0.21, 1 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(1-methylpyrazol-4-yl)-1H-1,2,4-triazol-3-amine is sourced from PubChem (CID 28742868), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).