5-(5-ethyl-2-methyl-1,2,4-triazol-3-yl)-1H-pyrazol-3-amine

C8H12N6 — CID 64527319

IUPAC5-(5-ethyl-2-methyl-1,2,4-triazol-3-yl)-1H-pyrazol-3-amine
SMILESCCc1nc(-c2cc(N)n[nH]2)n(C)n1
InChIInChI=1S/C8H12N6/c1-3-7-10-8(14(2)13-7)5-4-6(9)12-11-5/h4H,3H2,1-2H3,(H3,9,11,12)
InChIKeyKSUKEJZHQHGAIC-UHFFFAOYSA-N
MW192.23 g/mol
LogP0.35
Rot. Bonds2

About 5-(5-ethyl-2-methyl-1,2,4-triazol-3-yl)-1H-pyrazol-3-amine

5-(5-ethyl-2-methyl-1,2,4-triazol-3-yl)-1H-pyrazol-3-amine (PubChem CID 64527319) has the molecular formula C8H12N6 and a molecular weight of 192.23 g/mol. Its IUPAC name is 5-(5-ethyl-2-methyl-1,2,4-triazol-3-yl)-1H-pyrazol-3-amine.

Molecular Properties

Compound Name5-(5-ethyl-2-methyl-1,2,4-triazol-3-yl)-1H-pyrazol-3-amine
PubChem CID64527319
Molecular FormulaC8H12N6
Molecular Weight192.23 g/mol
Exact Mass192.11
IUPAC Name5-(5-ethyl-2-methyl-1,2,4-triazol-3-yl)-1H-pyrazol-3-amine
SMILESCCc1nc(-c2cc(N)n[nH]2)n(C)n1
InChIInChI=1S/C8H12N6/c1-3-7-10-8(14(2)13-7)5-4-6(9)12-11-5/h4H,3H2,1-2H3,(H3,9,11,12)
InChIKeyKSUKEJZHQHGAIC-UHFFFAOYSA-N
XLogP0.35
TPSA85.41 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500192.23
LogP ≤ 50.35
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 5-(5-ethyl-2-methyl-1,2,4-triazol-3-yl)-1H-pyrazol-3-amine?
The IUPAC name of 5-(5-ethyl-2-methyl-1,2,4-triazol-3-yl)-1H-pyrazol-3-amine (CID 64527319) is 5-(5-ethyl-2-methyl-1,2,4-triazol-3-yl)-1H-pyrazol-3-amine.
What is the SMILES notation for 5-(5-ethyl-2-methyl-1,2,4-triazol-3-yl)-1H-pyrazol-3-amine?
The canonical SMILES for 5-(5-ethyl-2-methyl-1,2,4-triazol-3-yl)-1H-pyrazol-3-amine is CCc1nc(-c2cc(N)n[nH]2)n(C)n1.
What is the InChIKey of 5-(5-ethyl-2-methyl-1,2,4-triazol-3-yl)-1H-pyrazol-3-amine?
The InChIKey is KSUKEJZHQHGAIC-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H12N6/c1-3-7-10-8(14(2)13-7)5-4-6(9)12-11-5/h4H,3H2,1-2H3,(H3,9,11,12).
What are the key properties of 5-(5-ethyl-2-methyl-1,2,4-triazol-3-yl)-1H-pyrazol-3-amine?
5-(5-ethyl-2-methyl-1,2,4-triazol-3-yl)-1H-pyrazol-3-amine has a molecular weight of 192.23 g/mol, XLogP of 0.35, 2 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(5-ethyl-2-methyl-1,2,4-triazol-3-yl)-1H-pyrazol-3-amine is sourced from PubChem (CID 64527319), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).