4-(cyclopropylamino)-N-(1,2,4-triazin-3-yl)butane-1-sulfonamide

C10H17N5O2S — CID 114142213

IUPAC4-(cyclopropylamino)-N-(1,2,4-triazin-3-yl)butane-1-sulfonamide
SMILESO=S(=O)(CCCCNC1CC1)Nc1nccnn1
InChIInChI=1S/C10H17N5O2S/c16-18(17,15-10-12-6-7-13-14-10)8-2-1-5-11-9-3-4-9/h6-7,9,11H,1-5,8H2,(H,12,14,15)
InChIKeyHGBXBOUNXISDSY-UHFFFAOYSA-N
MW271.35 g/mol
LogP0.15
Rot. Bonds8

About 4-(cyclopropylamino)-N-(1,2,4-triazin-3-yl)butane-1-sulfonamide

4-(cyclopropylamino)-N-(1,2,4-triazin-3-yl)butane-1-sulfonamide (PubChem CID 114142213) has the molecular formula C10H17N5O2S and a molecular weight of 271.35 g/mol. Its IUPAC name is 4-(cyclopropylamino)-N-(1,2,4-triazin-3-yl)butane-1-sulfonamide.

Molecular Properties

Compound Name4-(cyclopropylamino)-N-(1,2,4-triazin-3-yl)butane-1-sulfonamide
PubChem CID114142213
Molecular FormulaC10H17N5O2S
Molecular Weight271.35 g/mol
Exact Mass271.11
IUPAC Name4-(cyclopropylamino)-N-(1,2,4-triazin-3-yl)butane-1-sulfonamide
SMILESO=S(=O)(CCCCNC1CC1)Nc1nccnn1
InChIInChI=1S/C10H17N5O2S/c16-18(17,15-10-12-6-7-13-14-10)8-2-1-5-11-9-3-4-9/h6-7,9,11H,1-5,8H2,(H,12,14,15)
InChIKeyHGBXBOUNXISDSY-UHFFFAOYSA-N
XLogP0.15
TPSA96.87 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500271.35
LogP ≤ 50.15
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

4-(cyclopropylamino)-N-(5,6-dimethyl-1,2,4-triazin-3-yl)butane-1-sulfonamide
CID 106083017
4-(cyclopropylamino)-N-(6-methoxy-3-pyridinyl)butane-1-sulfonamide
CID 106059988
4-(cyclopropylamino)-N-(2,6-dimethyl-3-pyridinyl)butane-1-sulfonamide
CID 106071188
N-(2-bromophenyl)-4-(cyclopropylamino)butane-1-sulfonamide
CID 106061301
4-(cyclopropylamino)-N-(6-ethoxy-3-pyridinyl)butane-1-sulfonamide
CID 106072696
4-(cyclopropylamino)-N-[3-(1H-imidazol-2-yl)propyl]butane-1-sulfonamide
CID 106081694
4-(cyclopropylamino)-N-(3,4-difluorophenyl)butane-1-sulfonamide
CID 106060068
5-[(cyclopropylamino)methyl]-1-methyl-N-(1,2,4-triazin-3-yl)pyrrole-3-sulfonamide
CID 106081951
N-(3-chloro-5-fluorophenyl)-4-(cyclopropylamino)butane-1-sulfonamide
CID 106087948
4-(cyclopropylamino)-N-[2-(dimethylamino)phenyl]butane-1-sulfonamide
CID 106005891
3-(cyclopropylamino)-N-(2-ethylphenyl)propane-1-sulfonamide
CID 107591687
4-(cyclopropylamino)-N-[2-(methoxymethyl)phenyl]butane-1-sulfonamide
CID 106003237

Frequently Asked Questions

What is the IUPAC name of 4-(cyclopropylamino)-N-(1,2,4-triazin-3-yl)butane-1-sulfonamide?
The IUPAC name of 4-(cyclopropylamino)-N-(1,2,4-triazin-3-yl)butane-1-sulfonamide (CID 114142213) is 4-(cyclopropylamino)-N-(1,2,4-triazin-3-yl)butane-1-sulfonamide.
What is the SMILES notation for 4-(cyclopropylamino)-N-(1,2,4-triazin-3-yl)butane-1-sulfonamide?
The canonical SMILES for 4-(cyclopropylamino)-N-(1,2,4-triazin-3-yl)butane-1-sulfonamide is O=S(=O)(CCCCNC1CC1)Nc1nccnn1.
What is the InChIKey of 4-(cyclopropylamino)-N-(1,2,4-triazin-3-yl)butane-1-sulfonamide?
The InChIKey is HGBXBOUNXISDSY-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H17N5O2S/c16-18(17,15-10-12-6-7-13-14-10)8-2-1-5-11-9-3-4-9/h6-7,9,11H,1-5,8H2,(H,12,14,15).
What are the key properties of 4-(cyclopropylamino)-N-(1,2,4-triazin-3-yl)butane-1-sulfonamide?
4-(cyclopropylamino)-N-(1,2,4-triazin-3-yl)butane-1-sulfonamide has a molecular weight of 271.35 g/mol, XLogP of 0.15, 8 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(cyclopropylamino)-N-(1,2,4-triazin-3-yl)butane-1-sulfonamide is sourced from PubChem (CID 114142213), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).