5-[(cyclopropylamino)methyl]-1-methyl-N-(1,2,4-triazin-3-yl)pyrrole-3-sulfonamide

C12H16N6O2S — CID 106081951

IUPAC5-[(cyclopropylamino)methyl]-1-methyl-N-(1,2,4-triazin-3-yl)pyrrole-3-sulfonamide
SMILESCn1cc(S(=O)(=O)Nc2nccnn2)cc1CNC1CC1
InChIInChI=1S/C12H16N6O2S/c1-18-8-11(6-10(18)7-14-9-2-3-9)21(19,20)17-12-13-4-5-15-16-12/h4-6,8-9,14H,2-3,7H2,1H3,(H,13,16,17)
InChIKeyJXRMFNDROZYSOV-UHFFFAOYSA-N
MW308.37 g/mol
LogP0.26
Rot. Bonds6

About 5-[(cyclopropylamino)methyl]-1-methyl-N-(1,2,4-triazin-3-yl)pyrrole-3-sulfonamide

5-[(cyclopropylamino)methyl]-1-methyl-N-(1,2,4-triazin-3-yl)pyrrole-3-sulfonamide (PubChem CID 106081951) has the molecular formula C12H16N6O2S and a molecular weight of 308.37 g/mol. Its IUPAC name is 5-[(cyclopropylamino)methyl]-1-methyl-N-(1,2,4-triazin-3-yl)pyrrole-3-sulfonamide.

Molecular Properties

Compound Name5-[(cyclopropylamino)methyl]-1-methyl-N-(1,2,4-triazin-3-yl)pyrrole-3-sulfonamide
PubChem CID106081951
Molecular FormulaC12H16N6O2S
Molecular Weight308.37 g/mol
Exact Mass308.11
IUPAC Name5-[(cyclopropylamino)methyl]-1-methyl-N-(1,2,4-triazin-3-yl)pyrrole-3-sulfonamide
SMILESCn1cc(S(=O)(=O)Nc2nccnn2)cc1CNC1CC1
InChIInChI=1S/C12H16N6O2S/c1-18-8-11(6-10(18)7-14-9-2-3-9)21(19,20)17-12-13-4-5-15-16-12/h4-6,8-9,14H,2-3,7H2,1H3,(H,13,16,17)
InChIKeyJXRMFNDROZYSOV-UHFFFAOYSA-N
XLogP0.26
TPSA101.80 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500308.37
LogP ≤ 50.26
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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Related Compounds

5-[(cyclopropylamino)methyl]-N-(2-methoxy-2-methylpropyl)-1-methylpyrrole-3-sulfonamide
CID 106079946
5-[(cyclopropylamino)methyl]-N-(1-ethylsulfanylpropan-2-yl)-1-methylpyrrole-3-sulfonamide
CID 106083266
4-(cyclopropylamino)-N-(1,2,4-triazin-3-yl)butane-1-sulfonamide
CID 114142213
1-methyl-5-(methylaminomethyl)-N-(oxan-3-yl)pyrrole-3-sulfonamide
CID 106065320
1-methyl-5-(methylaminomethyl)-N-(3-methylcyclohexyl)pyrrole-3-sulfonamide
CID 106027525
N-(4-ethylcyclohexyl)-1-methyl-5-(methylaminomethyl)pyrrole-3-sulfonamide
CID 106053101
5-(ethylaminomethyl)-1-methyl-N-(1-methylpiperidin-3-yl)pyrrole-3-sulfonamide
CID 106017836
1-methyl-N-(3-methylcyclopentyl)-5-(propylaminomethyl)pyrrole-3-sulfonamide
CID 114551865
1-methyl-5-(methylaminomethyl)-N-(2-methylcyclopentyl)pyrrole-3-sulfonamide
CID 106064325
N-[(1-methyl-3-nitropyrazol-5-yl)methyl]cyclopropanamine
CID 122171512
4-fluoro-3-methyl-5-(methylaminomethyl)-N-(1,2,4-triazin-3-yl)benzenesulfonamide
CID 106082078
N-(5-ethyl-1,3,4-thiadiazol-2-yl)-1-methyl-5-(methylaminomethyl)pyrrole-3-sulfonamide
CID 106089797

Frequently Asked Questions

What is the IUPAC name of 5-[(cyclopropylamino)methyl]-1-methyl-N-(1,2,4-triazin-3-yl)pyrrole-3-sulfonamide?
The IUPAC name of 5-[(cyclopropylamino)methyl]-1-methyl-N-(1,2,4-triazin-3-yl)pyrrole-3-sulfonamide (CID 106081951) is 5-[(cyclopropylamino)methyl]-1-methyl-N-(1,2,4-triazin-3-yl)pyrrole-3-sulfonamide.
What is the SMILES notation for 5-[(cyclopropylamino)methyl]-1-methyl-N-(1,2,4-triazin-3-yl)pyrrole-3-sulfonamide?
The canonical SMILES for 5-[(cyclopropylamino)methyl]-1-methyl-N-(1,2,4-triazin-3-yl)pyrrole-3-sulfonamide is Cn1cc(S(=O)(=O)Nc2nccnn2)cc1CNC1CC1.
What is the InChIKey of 5-[(cyclopropylamino)methyl]-1-methyl-N-(1,2,4-triazin-3-yl)pyrrole-3-sulfonamide?
The InChIKey is JXRMFNDROZYSOV-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H16N6O2S/c1-18-8-11(6-10(18)7-14-9-2-3-9)21(19,20)17-12-13-4-5-15-16-12/h4-6,8-9,14H,2-3,7H2,1H3,(H,13,16,17).
What are the key properties of 5-[(cyclopropylamino)methyl]-1-methyl-N-(1,2,4-triazin-3-yl)pyrrole-3-sulfonamide?
5-[(cyclopropylamino)methyl]-1-methyl-N-(1,2,4-triazin-3-yl)pyrrole-3-sulfonamide has a molecular weight of 308.37 g/mol, XLogP of 0.26, 6 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[(cyclopropylamino)methyl]-1-methyl-N-(1,2,4-triazin-3-yl)pyrrole-3-sulfonamide is sourced from PubChem (CID 106081951), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).