1H-1,2,4-triazol-5-ylsulfanylmethanamine

C3H6N4S — CID 67903702

IUPAC1H-1,2,4-triazol-5-ylsulfanylmethanamine
SMILESNCSc1ncn[nH]1
InChIInChI=1S/C3H6N4S/c4-1-8-3-5-2-6-7-3/h2H,1,4H2,(H,5,6,7)
InChIKeyFWVDDEXCORUFRG-UHFFFAOYSA-N
MW130.18 g/mol
LogP-0.19
Rot. Bonds2

About 1H-1,2,4-triazol-5-ylsulfanylmethanamine

1H-1,2,4-triazol-5-ylsulfanylmethanamine (PubChem CID 67903702) has the molecular formula C3H6N4S and a molecular weight of 130.18 g/mol. Its IUPAC name is 1H-1,2,4-triazol-5-ylsulfanylmethanamine.

Molecular Properties

Compound Name1H-1,2,4-triazol-5-ylsulfanylmethanamine
PubChem CID67903702
Molecular FormulaC3H6N4S
Molecular Weight130.18 g/mol
Exact Mass130.03
IUPAC Name1H-1,2,4-triazol-5-ylsulfanylmethanamine
SMILESNCSc1ncn[nH]1
InChIInChI=1S/C3H6N4S/c4-1-8-3-5-2-6-7-3/h2H,1,4H2,(H,5,6,7)
InChIKeyFWVDDEXCORUFRG-UHFFFAOYSA-N
XLogP-0.19
TPSA67.59 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms8
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500130.18
LogP ≤ 5-0.19
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}

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Related Compounds

N'-hydroxy-2-(1H-1,2,4-triazol-5-ylsulfanyl)ethanimidamide
CID 71393351
5-(methoxymethylsulfanyl)-1H-1,2,4-triazole
CID 21177764
(2S)-1-(1H-1,2,4-triazol-5-ylsulfanyl)propan-2-ol
CID 106933255
5-(oxiran-2-ylmethylsulfanyl)-1H-1,2,4-triazole
CID 43187871
5-(9-bromononylsulfanyl)-1H-1,2,4-triazole
CID 105343439
6-(1H-1,2,4-triazol-5-ylsulfanyl)hexan-2-amine
CID 64621223
ethyl 2-(1H-1,2,4-triazol-5-ylsulfanyl)acetate
CID 799674
1-amino-2-methyl-6-(1H-1,2,4-triazol-5-ylsulfanyl)hexan-2-ol
CID 64814027
1-amino-2-phenyl-3-(1H-1,2,4-triazol-5-ylsulfanyl)propan-2-ol
CID 64814237
1H-1,2,4-triazol-5-ylsulfanylmethyl 2,2-dimethylpropanoate
CID 91662451
5-(1H-1,2,4-triazol-5-yloctasulfanyl)-1H-1,2,4-triazole
CID 170702799
[3-methyl-4-(1H-1,2,4-triazol-5-ylsulfanylmethyl)phenyl]methanamine
CID 114484719

Frequently Asked Questions

What is the IUPAC name of 1H-1,2,4-triazol-5-ylsulfanylmethanamine?
The IUPAC name of 1H-1,2,4-triazol-5-ylsulfanylmethanamine (CID 67903702) is 1H-1,2,4-triazol-5-ylsulfanylmethanamine.
What is the SMILES notation for 1H-1,2,4-triazol-5-ylsulfanylmethanamine?
The canonical SMILES for 1H-1,2,4-triazol-5-ylsulfanylmethanamine is NCSc1ncn[nH]1.
What is the InChIKey of 1H-1,2,4-triazol-5-ylsulfanylmethanamine?
The InChIKey is FWVDDEXCORUFRG-UHFFFAOYSA-N. The full InChI is InChI=1S/C3H6N4S/c4-1-8-3-5-2-6-7-3/h2H,1,4H2,(H,5,6,7).
What are the key properties of 1H-1,2,4-triazol-5-ylsulfanylmethanamine?
1H-1,2,4-triazol-5-ylsulfanylmethanamine has a molecular weight of 130.18 g/mol, XLogP of -0.19, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1H-1,2,4-triazol-5-ylsulfanylmethanamine is sourced from PubChem (CID 67903702), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).