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

C9H15N7O2S — CID 105358991

IUPAC3-amino-N,1,5-trimethyl-N-(1H-1,2,4-triazol-5-ylmethyl)pyrazole-4-sulfonamide
SMILESCc1c(S(=O)(=O)N(C)Cc2ncn[nH]2)c(N)nn1C
InChIInChI=1S/C9H15N7O2S/c1-6-8(9(10)14-16(6)3)19(17,18)15(2)4-7-11-5-12-13-7/h5H,4H2,1-3H3,(H2,10,14)(H,11,12,13)
InChIKeyRGWZWOAMGIFCTM-UHFFFAOYSA-N
MW285.33 g/mol
LogP-0.75
Rot. Bonds4

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

3-amino-N,1,5-trimethyl-N-(1H-1,2,4-triazol-5-ylmethyl)pyrazole-4-sulfonamide (PubChem CID 105358991) has the molecular formula C9H15N7O2S and a molecular weight of 285.33 g/mol. Its IUPAC name is 3-amino-N,1,5-trimethyl-N-(1H-1,2,4-triazol-5-ylmethyl)pyrazole-4-sulfonamide.

Molecular Properties

Compound Name3-amino-N,1,5-trimethyl-N-(1H-1,2,4-triazol-5-ylmethyl)pyrazole-4-sulfonamide
PubChem CID105358991
Molecular FormulaC9H15N7O2S
Molecular Weight285.33 g/mol
Exact Mass285.10
IUPAC Name3-amino-N,1,5-trimethyl-N-(1H-1,2,4-triazol-5-ylmethyl)pyrazole-4-sulfonamide
SMILESCc1c(S(=O)(=O)N(C)Cc2ncn[nH]2)c(N)nn1C
InChIInChI=1S/C9H15N7O2S/c1-6-8(9(10)14-16(6)3)19(17,18)15(2)4-7-11-5-12-13-7/h5H,4H2,1-3H3,(H2,10,14)(H,11,12,13)
InChIKeyRGWZWOAMGIFCTM-UHFFFAOYSA-N
XLogP-0.75
TPSA122.79 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500285.33
LogP ≤ 5-0.75
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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Related Compounds

3-amino-N-(1H-imidazol-2-ylmethyl)-N,1,5-trimethylpyrazole-4-sulfonamide
CID 105358992
3-amino-N-methyl-1-propyl-N-(1H-1,2,4-triazol-5-ylmethyl)pyrazole-4-sulfonamide
CID 64510009
2-amino-N-methyl-N-(1H-1,2,4-triazol-5-ylmethyl)pyridine-3-sulfonamide
CID 64517173
2-amino-6-fluoro-N-methyl-N-(1H-1,2,4-triazol-5-ylmethyl)benzenesulfonamide
CID 64512147
3-amino-N,1,5-trimethyl-N-[(2-methyl-1,3-thiazol-4-yl)methyl]pyrazole-4-sulfonamide
CID 105358783
3-amino-N-methyl-N-(1H-1,2,4-triazol-5-ylmethyl)pyridine-2-sulfonamide
CID 103306233
4-chloro-N,1-dimethyl-N-(1H-1,2,4-triazol-5-ylmethyl)pyrazole-5-sulfonamide
CID 106315072
3-amino-N-[(3-fluorophenyl)methyl]-N,1,5-trimethylpyrazole-4-sulfonamide
CID 105358201
3-amino-N,N-diethyl-1,5-dimethylpyrazole-4-sulfonamide
CID 105357885
N-(1H-imidazol-2-ylmethyl)-N,1,3,5-tetramethylpyrazole-4-sulfonamide
CID 64519581
3-amino-5-fluoro-N-methyl-N-(1H-1,2,4-triazol-5-ylmethyl)benzenesulfonamide
CID 64512148
5-bromo-N,4-dimethyl-N-(1H-1,2,4-triazol-5-ylmethyl)thiophene-2-sulfonamide
CID 79988088

Frequently Asked Questions

What is the IUPAC name of 3-amino-N,1,5-trimethyl-N-(1H-1,2,4-triazol-5-ylmethyl)pyrazole-4-sulfonamide?
The IUPAC name of 3-amino-N,1,5-trimethyl-N-(1H-1,2,4-triazol-5-ylmethyl)pyrazole-4-sulfonamide (CID 105358991) is 3-amino-N,1,5-trimethyl-N-(1H-1,2,4-triazol-5-ylmethyl)pyrazole-4-sulfonamide.
What is the SMILES notation for 3-amino-N,1,5-trimethyl-N-(1H-1,2,4-triazol-5-ylmethyl)pyrazole-4-sulfonamide?
The canonical SMILES for 3-amino-N,1,5-trimethyl-N-(1H-1,2,4-triazol-5-ylmethyl)pyrazole-4-sulfonamide is Cc1c(S(=O)(=O)N(C)Cc2ncn[nH]2)c(N)nn1C.
What is the InChIKey of 3-amino-N,1,5-trimethyl-N-(1H-1,2,4-triazol-5-ylmethyl)pyrazole-4-sulfonamide?
The InChIKey is RGWZWOAMGIFCTM-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H15N7O2S/c1-6-8(9(10)14-16(6)3)19(17,18)15(2)4-7-11-5-12-13-7/h5H,4H2,1-3H3,(H2,10,14)(H,11,12,13).
What are the key properties of 3-amino-N,1,5-trimethyl-N-(1H-1,2,4-triazol-5-ylmethyl)pyrazole-4-sulfonamide?
3-amino-N,1,5-trimethyl-N-(1H-1,2,4-triazol-5-ylmethyl)pyrazole-4-sulfonamide has a molecular weight of 285.33 g/mol, XLogP of -0.75, 4 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-N,1,5-trimethyl-N-(1H-1,2,4-triazol-5-ylmethyl)pyrazole-4-sulfonamide is sourced from PubChem (CID 105358991), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).