N-(cyclopropylsulfamoyl)-1H-1,2,4-triazol-5-amine

C5H9N5O2S — CID 114810087

IUPACN-(cyclopropylsulfamoyl)-1H-1,2,4-triazol-5-amine
SMILESO=S(=O)(Nc1ncn[nH]1)NC1CC1
InChIInChI=1S/C5H9N5O2S/c11-13(12,9-4-1-2-4)10-5-6-3-7-8-5/h3-4,9H,1-2H2,(H2,6,7,8,10)
InChIKeyFSACLVDJWBQCCO-UHFFFAOYSA-N
MW203.23 g/mol
LogP-0.79
Rot. Bonds4

About N-(cyclopropylsulfamoyl)-1H-1,2,4-triazol-5-amine

N-(cyclopropylsulfamoyl)-1H-1,2,4-triazol-5-amine (PubChem CID 114810087) has the molecular formula C5H9N5O2S and a molecular weight of 203.23 g/mol. Its IUPAC name is N-(cyclopropylsulfamoyl)-1H-1,2,4-triazol-5-amine.

Molecular Properties

Compound NameN-(cyclopropylsulfamoyl)-1H-1,2,4-triazol-5-amine
PubChem CID114810087
Molecular FormulaC5H9N5O2S
Molecular Weight203.23 g/mol
Exact Mass203.05
IUPAC NameN-(cyclopropylsulfamoyl)-1H-1,2,4-triazol-5-amine
SMILESO=S(=O)(Nc1ncn[nH]1)NC1CC1
InChIInChI=1S/C5H9N5O2S/c11-13(12,9-4-1-2-4)10-5-6-3-7-8-5/h3-4,9H,1-2H2,(H2,6,7,8,10)
InChIKeyFSACLVDJWBQCCO-UHFFFAOYSA-N
XLogP-0.79
TPSA99.77 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500203.23
LogP ≤ 5-0.79
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-(cyclopropylsulfamoyl)-1H-1,2,4-triazol-5-amine?
The IUPAC name of N-(cyclopropylsulfamoyl)-1H-1,2,4-triazol-5-amine (CID 114810087) is N-(cyclopropylsulfamoyl)-1H-1,2,4-triazol-5-amine.
What is the SMILES notation for N-(cyclopropylsulfamoyl)-1H-1,2,4-triazol-5-amine?
The canonical SMILES for N-(cyclopropylsulfamoyl)-1H-1,2,4-triazol-5-amine is O=S(=O)(Nc1ncn[nH]1)NC1CC1.
What is the InChIKey of N-(cyclopropylsulfamoyl)-1H-1,2,4-triazol-5-amine?
The InChIKey is FSACLVDJWBQCCO-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H9N5O2S/c11-13(12,9-4-1-2-4)10-5-6-3-7-8-5/h3-4,9H,1-2H2,(H2,6,7,8,10).
What are the key properties of N-(cyclopropylsulfamoyl)-1H-1,2,4-triazol-5-amine?
N-(cyclopropylsulfamoyl)-1H-1,2,4-triazol-5-amine has a molecular weight of 203.23 g/mol, XLogP of -0.79, 4 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(cyclopropylsulfamoyl)-1H-1,2,4-triazol-5-amine is sourced from PubChem (CID 114810087), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).