1-sulfanyltriazol-4-amine

C2H4N4S — CID 18427063

IUPAC1-sulfanyltriazol-4-amine
SMILESNc1cn(S)nn1
InChIInChI=1S/C2H4N4S/c3-2-1-6(7)5-4-2/h1,7H,3H2
InChIKeyGGNDCPOYZJQXRN-UHFFFAOYSA-N
MW116.15 g/mol
LogP-0.45
Rot. Bonds

About 1-sulfanyltriazol-4-amine

1-sulfanyltriazol-4-amine (PubChem CID 18427063) has the molecular formula C2H4N4S and a molecular weight of 116.15 g/mol. Its IUPAC name is 1-sulfanyltriazol-4-amine.

Molecular Properties

Compound Name1-sulfanyltriazol-4-amine
PubChem CID18427063
Molecular FormulaC2H4N4S
Molecular Weight116.15 g/mol
Exact Mass116.02
IUPAC Name1-sulfanyltriazol-4-amine
SMILESNc1cn(S)nn1
InChIInChI=1S/C2H4N4S/c3-2-1-6(7)5-4-2/h1,7H,3H2
InChIKeyGGNDCPOYZJQXRN-UHFFFAOYSA-N
XLogP-0.45
TPSA56.73 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds
Heavy Atoms7
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500116.15
LogP ≤ 5-0.45
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'thiol_2', 'substructure': 'N/A'}

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Related Compounds

1-iodotriazol-4-amine
CID 146200393
1-(aminomethyl)triazol-4-amine
CID 22639545
4-aminotriazole-1-carbothialdehyde
CID 87917805
1-[[(1R,2R)-2-ethylcyclopropyl]methyl]triazol-4-amine
CID 165472993
1-(3-fluoropropyl)triazol-4-amine
CID 81110158
1-butan-2-yltriazol-4-amine
CID 79530660
1-(3,4,5-trifluorophenyl)triazol-4-amine
CID 79507454
N,N-dimethyl-2-(1-sulfanyltriazol-4-yl)ethanamine
CID 19896364
1-(1,3-oxazol-5-yl)triazol-4-amine
CID 96636076
1-(2-methylbutyl)triazol-4-amine
CID 79531086
1-(2-iodophenyl)triazol-4-amine
CID 79502430
1-[(4-methyloxan-4-yl)methyl]triazol-4-amine
CID 165471753

Frequently Asked Questions

What is the IUPAC name of 1-sulfanyltriazol-4-amine?
The IUPAC name of 1-sulfanyltriazol-4-amine (CID 18427063) is 1-sulfanyltriazol-4-amine.
What is the SMILES notation for 1-sulfanyltriazol-4-amine?
The canonical SMILES for 1-sulfanyltriazol-4-amine is Nc1cn(S)nn1.
What is the InChIKey of 1-sulfanyltriazol-4-amine?
The InChIKey is GGNDCPOYZJQXRN-UHFFFAOYSA-N. The full InChI is InChI=1S/C2H4N4S/c3-2-1-6(7)5-4-2/h1,7H,3H2.
What are the key properties of 1-sulfanyltriazol-4-amine?
1-sulfanyltriazol-4-amine has a molecular weight of 116.15 g/mol, XLogP of -0.45, 0 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-sulfanyltriazol-4-amine is sourced from PubChem (CID 18427063), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).