(5-ethylsulfanyl-4-methyl-1,2,4-triazol-3-yl)methanamine

C6H12N4S — CID 63315756

IUPAC(5-ethylsulfanyl-4-methyl-1,2,4-triazol-3-yl)methanamine
SMILESCCSc1nnc(CN)n1C
InChIInChI=1S/C6H12N4S/c1-3-11-6-9-8-5(4-7)10(6)2/h3-4,7H2,1-2H3
InChIKeyQZMUTAWUVWPSRF-UHFFFAOYSA-N
MW172.26 g/mol
LogP0.39
Rot. Bonds3

About (5-ethylsulfanyl-4-methyl-1,2,4-triazol-3-yl)methanamine

(5-ethylsulfanyl-4-methyl-1,2,4-triazol-3-yl)methanamine (PubChem CID 63315756) has the molecular formula C6H12N4S and a molecular weight of 172.26 g/mol. Its IUPAC name is (5-ethylsulfanyl-4-methyl-1,2,4-triazol-3-yl)methanamine.

Molecular Properties

Compound Name(5-ethylsulfanyl-4-methyl-1,2,4-triazol-3-yl)methanamine
PubChem CID63315756
Molecular FormulaC6H12N4S
Molecular Weight172.26 g/mol
Exact Mass172.08
IUPAC Name(5-ethylsulfanyl-4-methyl-1,2,4-triazol-3-yl)methanamine
SMILESCCSc1nnc(CN)n1C
InChIInChI=1S/C6H12N4S/c1-3-11-6-9-8-5(4-7)10(6)2/h3-4,7H2,1-2H3
InChIKeyQZMUTAWUVWPSRF-UHFFFAOYSA-N
XLogP0.39
TPSA56.73 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500172.26
LogP ≤ 50.39
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of (5-ethylsulfanyl-4-methyl-1,2,4-triazol-3-yl)methanamine?
The IUPAC name of (5-ethylsulfanyl-4-methyl-1,2,4-triazol-3-yl)methanamine (CID 63315756) is (5-ethylsulfanyl-4-methyl-1,2,4-triazol-3-yl)methanamine.
What is the SMILES notation for (5-ethylsulfanyl-4-methyl-1,2,4-triazol-3-yl)methanamine?
The canonical SMILES for (5-ethylsulfanyl-4-methyl-1,2,4-triazol-3-yl)methanamine is CCSc1nnc(CN)n1C.
What is the InChIKey of (5-ethylsulfanyl-4-methyl-1,2,4-triazol-3-yl)methanamine?
The InChIKey is QZMUTAWUVWPSRF-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H12N4S/c1-3-11-6-9-8-5(4-7)10(6)2/h3-4,7H2,1-2H3.
What are the key properties of (5-ethylsulfanyl-4-methyl-1,2,4-triazol-3-yl)methanamine?
(5-ethylsulfanyl-4-methyl-1,2,4-triazol-3-yl)methanamine has a molecular weight of 172.26 g/mol, XLogP of 0.39, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (5-ethylsulfanyl-4-methyl-1,2,4-triazol-3-yl)methanamine is sourced from PubChem (CID 63315756), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).