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

C6H12N4O2S — CID 9146333

IUPAC5-(2-methylpropylsulfonyl)-1H-1,2,4-triazol-3-amine
SMILESCC(C)CS(=O)(=O)c1nc(N)n[nH]1
InChIInChI=1S/C6H12N4O2S/c1-4(2)3-13(11,12)6-8-5(7)9-10-6/h4H,3H2,1-2H3,(H3,7,8,9,10)
InChIKeyAQHZWJLQTSGRJL-UHFFFAOYSA-N
MW204.25 g/mol
LogP-0.18
Rot. Bonds3

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

5-(2-methylpropylsulfonyl)-1H-1,2,4-triazol-3-amine (PubChem CID 9146333) has the molecular formula C6H12N4O2S and a molecular weight of 204.25 g/mol. Its IUPAC name is 5-(2-methylpropylsulfonyl)-1H-1,2,4-triazol-3-amine.

Molecular Properties

Compound Name5-(2-methylpropylsulfonyl)-1H-1,2,4-triazol-3-amine
PubChem CID9146333
Molecular FormulaC6H12N4O2S
Molecular Weight204.25 g/mol
Exact Mass204.07
IUPAC Name5-(2-methylpropylsulfonyl)-1H-1,2,4-triazol-3-amine
SMILESCC(C)CS(=O)(=O)c1nc(N)n[nH]1
InChIInChI=1S/C6H12N4O2S/c1-4(2)3-13(11,12)6-8-5(7)9-10-6/h4H,3H2,1-2H3,(H3,7,8,9,10)
InChIKeyAQHZWJLQTSGRJL-UHFFFAOYSA-N
XLogP-0.18
TPSA101.73 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500204.25
LogP ≤ 5-0.18
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 5-(2-methylpropylsulfonyl)-1H-1,2,4-triazol-3-amine?
The IUPAC name of 5-(2-methylpropylsulfonyl)-1H-1,2,4-triazol-3-amine (CID 9146333) is 5-(2-methylpropylsulfonyl)-1H-1,2,4-triazol-3-amine.
What is the SMILES notation for 5-(2-methylpropylsulfonyl)-1H-1,2,4-triazol-3-amine?
The canonical SMILES for 5-(2-methylpropylsulfonyl)-1H-1,2,4-triazol-3-amine is CC(C)CS(=O)(=O)c1nc(N)n[nH]1.
What is the InChIKey of 5-(2-methylpropylsulfonyl)-1H-1,2,4-triazol-3-amine?
The InChIKey is AQHZWJLQTSGRJL-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H12N4O2S/c1-4(2)3-13(11,12)6-8-5(7)9-10-6/h4H,3H2,1-2H3,(H3,7,8,9,10).
What are the key properties of 5-(2-methylpropylsulfonyl)-1H-1,2,4-triazol-3-amine?
5-(2-methylpropylsulfonyl)-1H-1,2,4-triazol-3-amine has a molecular weight of 204.25 g/mol, XLogP of -0.18, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(2-methylpropylsulfonyl)-1H-1,2,4-triazol-3-amine is sourced from PubChem (CID 9146333), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).