5-methylsulfanyl-1-propan-2-yl-1,2,4-triazol-3-amine

C6H12N4S — CID 13451791

IUPAC5-methylsulfanyl-1-propan-2-yl-1,2,4-triazol-3-amine
SMILESCSc1nc(N)nn1C(C)C
InChIInChI=1S/C6H12N4S/c1-4(2)10-6(11-3)8-5(7)9-10/h4H,1-3H3,(H2,7,9)
InChIKeyBWYMSZLBOGKIHQ-UHFFFAOYSA-N
MW172.26 g/mol
LogP1.16
Rot. Bonds2

About 5-methylsulfanyl-1-propan-2-yl-1,2,4-triazol-3-amine

5-methylsulfanyl-1-propan-2-yl-1,2,4-triazol-3-amine (PubChem CID 13451791) has the molecular formula C6H12N4S and a molecular weight of 172.26 g/mol. Its IUPAC name is 5-methylsulfanyl-1-propan-2-yl-1,2,4-triazol-3-amine.

Molecular Properties

Compound Name5-methylsulfanyl-1-propan-2-yl-1,2,4-triazol-3-amine
PubChem CID13451791
Molecular FormulaC6H12N4S
Molecular Weight172.26 g/mol
Exact Mass172.08
IUPAC Name5-methylsulfanyl-1-propan-2-yl-1,2,4-triazol-3-amine
SMILESCSc1nc(N)nn1C(C)C
InChIInChI=1S/C6H12N4S/c1-4(2)10-6(11-3)8-5(7)9-10/h4H,1-3H3,(H2,7,9)
InChIKeyBWYMSZLBOGKIHQ-UHFFFAOYSA-N
XLogP1.16
TPSA56.73 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500172.26
LogP ≤ 51.16
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 5-methylsulfanyl-1-propan-2-yl-1,2,4-triazol-3-amine?
The IUPAC name of 5-methylsulfanyl-1-propan-2-yl-1,2,4-triazol-3-amine (CID 13451791) is 5-methylsulfanyl-1-propan-2-yl-1,2,4-triazol-3-amine.
What is the SMILES notation for 5-methylsulfanyl-1-propan-2-yl-1,2,4-triazol-3-amine?
The canonical SMILES for 5-methylsulfanyl-1-propan-2-yl-1,2,4-triazol-3-amine is CSc1nc(N)nn1C(C)C.
What is the InChIKey of 5-methylsulfanyl-1-propan-2-yl-1,2,4-triazol-3-amine?
The InChIKey is BWYMSZLBOGKIHQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H12N4S/c1-4(2)10-6(11-3)8-5(7)9-10/h4H,1-3H3,(H2,7,9).
What are the key properties of 5-methylsulfanyl-1-propan-2-yl-1,2,4-triazol-3-amine?
5-methylsulfanyl-1-propan-2-yl-1,2,4-triazol-3-amine has a molecular weight of 172.26 g/mol, XLogP of 1.16, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-methylsulfanyl-1-propan-2-yl-1,2,4-triazol-3-amine is sourced from PubChem (CID 13451791), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).