3-amino-N-methyl-1-propyl-N-(1H-1,2,4-triazol-5-ylmethyl)pyrazole-4-sulfonamide

C10H17N7O2S — CID 64510009

IUPAC3-amino-N-methyl-1-propyl-N-(1H-1,2,4-triazol-5-ylmethyl)pyrazole-4-sulfonamide
SMILESCCCn1cc(S(=O)(=O)N(C)Cc2ncn[nH]2)c(N)n1
InChIInChI=1S/C10H17N7O2S/c1-3-4-17-5-8(10(11)15-17)20(18,19)16(2)6-9-12-7-13-14-9/h5,7H,3-4,6H2,1-2H3,(H2,11,15)(H,12,13,14)
InChIKeyQQIHBGGBRCCQPQ-UHFFFAOYSA-N
MW299.36 g/mol
LogP-0.19
Rot. Bonds6

About 3-amino-N-methyl-1-propyl-N-(1H-1,2,4-triazol-5-ylmethyl)pyrazole-4-sulfonamide

3-amino-N-methyl-1-propyl-N-(1H-1,2,4-triazol-5-ylmethyl)pyrazole-4-sulfonamide (PubChem CID 64510009) has the molecular formula C10H17N7O2S and a molecular weight of 299.36 g/mol. Its IUPAC name is 3-amino-N-methyl-1-propyl-N-(1H-1,2,4-triazol-5-ylmethyl)pyrazole-4-sulfonamide.

Molecular Properties

Compound Name3-amino-N-methyl-1-propyl-N-(1H-1,2,4-triazol-5-ylmethyl)pyrazole-4-sulfonamide
PubChem CID64510009
Molecular FormulaC10H17N7O2S
Molecular Weight299.36 g/mol
Exact Mass299.12
IUPAC Name3-amino-N-methyl-1-propyl-N-(1H-1,2,4-triazol-5-ylmethyl)pyrazole-4-sulfonamide
SMILESCCCn1cc(S(=O)(=O)N(C)Cc2ncn[nH]2)c(N)n1
InChIInChI=1S/C10H17N7O2S/c1-3-4-17-5-8(10(11)15-17)20(18,19)16(2)6-9-12-7-13-14-9/h5,7H,3-4,6H2,1-2H3,(H2,11,15)(H,12,13,14)
InChIKeyQQIHBGGBRCCQPQ-UHFFFAOYSA-N
XLogP-0.19
TPSA122.79 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500299.36
LogP ≤ 5-0.19
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 3-amino-N-methyl-1-propyl-N-(1H-1,2,4-triazol-5-ylmethyl)pyrazole-4-sulfonamide?
The IUPAC name of 3-amino-N-methyl-1-propyl-N-(1H-1,2,4-triazol-5-ylmethyl)pyrazole-4-sulfonamide (CID 64510009) is 3-amino-N-methyl-1-propyl-N-(1H-1,2,4-triazol-5-ylmethyl)pyrazole-4-sulfonamide.
What is the SMILES notation for 3-amino-N-methyl-1-propyl-N-(1H-1,2,4-triazol-5-ylmethyl)pyrazole-4-sulfonamide?
The canonical SMILES for 3-amino-N-methyl-1-propyl-N-(1H-1,2,4-triazol-5-ylmethyl)pyrazole-4-sulfonamide is CCCn1cc(S(=O)(=O)N(C)Cc2ncn[nH]2)c(N)n1.
What is the InChIKey of 3-amino-N-methyl-1-propyl-N-(1H-1,2,4-triazol-5-ylmethyl)pyrazole-4-sulfonamide?
The InChIKey is QQIHBGGBRCCQPQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H17N7O2S/c1-3-4-17-5-8(10(11)15-17)20(18,19)16(2)6-9-12-7-13-14-9/h5,7H,3-4,6H2,1-2H3,(H2,11,15)(H,12,13,14).
What are the key properties of 3-amino-N-methyl-1-propyl-N-(1H-1,2,4-triazol-5-ylmethyl)pyrazole-4-sulfonamide?
3-amino-N-methyl-1-propyl-N-(1H-1,2,4-triazol-5-ylmethyl)pyrazole-4-sulfonamide has a molecular weight of 299.36 g/mol, XLogP of -0.19, 6 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-N-methyl-1-propyl-N-(1H-1,2,4-triazol-5-ylmethyl)pyrazole-4-sulfonamide is sourced from PubChem (CID 64510009), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).