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

C8H16N4S — CID 63095762

IUPAC4-propan-2-yl-5-propylsulfanyl-1,2,4-triazol-3-amine
SMILESCCCSc1nnc(N)n1C(C)C
InChIInChI=1S/C8H16N4S/c1-4-5-13-8-11-10-7(9)12(8)6(2)3/h6H,4-5H2,1-3H3,(H2,9,10)
InChIKeyFJZFADHVPPBDSD-UHFFFAOYSA-N
MW200.31 g/mol
LogP1.94
Rot. Bonds4

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

4-propan-2-yl-5-propylsulfanyl-1,2,4-triazol-3-amine (PubChem CID 63095762) has the molecular formula C8H16N4S and a molecular weight of 200.31 g/mol. Its IUPAC name is 4-propan-2-yl-5-propylsulfanyl-1,2,4-triazol-3-amine.

Molecular Properties

Compound Name4-propan-2-yl-5-propylsulfanyl-1,2,4-triazol-3-amine
PubChem CID63095762
Molecular FormulaC8H16N4S
Molecular Weight200.31 g/mol
Exact Mass200.11
IUPAC Name4-propan-2-yl-5-propylsulfanyl-1,2,4-triazol-3-amine
SMILESCCCSc1nnc(N)n1C(C)C
InChIInChI=1S/C8H16N4S/c1-4-5-13-8-11-10-7(9)12(8)6(2)3/h6H,4-5H2,1-3H3,(H2,9,10)
InChIKeyFJZFADHVPPBDSD-UHFFFAOYSA-N
XLogP1.94
TPSA56.73 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500200.31
LogP ≤ 51.94
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

5-(2,2-difluoroethylsulfanyl)-N,N-dimethyl-4-propan-2-yl-1,2,4-triazol-3-amine
CID 60306413
4-Propan-2-yl-5-(2,2,2-trifluoroethylsulfanyl)-1,2,4-triazol-3-amine
CID 63095063
5-(Difluoromethylsulfanyl)-4-propan-2-yl-1,2,4-triazol-3-amine
CID 63096297
5-(2,2-Difluoroethylsulfanyl)-4-propan-2-yl-1,2,4-triazol-3-amine
CID 63097167
4-Propan-2-yl-5-[3-(2,2,2-trifluoroethoxy)propylsulfanyl]-1,2,4-triazol-3-amine
CID 63097183
4-Propan-2-yl-5-(3,3,3-trifluoropropylsulfanyl)-1,2,4-triazol-3-amine
CID 64565682
5-(2-Fluoroethylsulfanyl)-4-propan-2-yl-1,2,4-triazol-3-amine
CID 80694899
5-(3-Fluoropropylsulfanyl)-4-methyl-1,2,4-triazol-3-amine
CID 81106978
5-(3-Fluoropropylsulfanyl)-4-propan-2-yl-1,2,4-triazol-3-amine
CID 81107090
4-Propan-2-yl-5-[2-(trifluoromethylsulfanyl)ethylsulfanyl]-1,2,4-triazol-3-amine
CID 113543953
2-[(5-Amino-4-propan-2-yl-1,2,4-triazol-3-yl)sulfanylmethyl]-3,3,3-trifluoropropanenitrile
CID 113808233
4-Propan-2-yl-5-(4,4,4-trifluorobutylsulfanyl)-1,2,4-triazol-3-amine
CID 115514170

Frequently Asked Questions

What is the IUPAC name of 4-propan-2-yl-5-propylsulfanyl-1,2,4-triazol-3-amine?
The IUPAC name of 4-propan-2-yl-5-propylsulfanyl-1,2,4-triazol-3-amine (CID 63095762) is 4-propan-2-yl-5-propylsulfanyl-1,2,4-triazol-3-amine.
What is the SMILES notation for 4-propan-2-yl-5-propylsulfanyl-1,2,4-triazol-3-amine?
The canonical SMILES for 4-propan-2-yl-5-propylsulfanyl-1,2,4-triazol-3-amine is CCCSc1nnc(N)n1C(C)C.
What is the InChIKey of 4-propan-2-yl-5-propylsulfanyl-1,2,4-triazol-3-amine?
The InChIKey is FJZFADHVPPBDSD-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H16N4S/c1-4-5-13-8-11-10-7(9)12(8)6(2)3/h6H,4-5H2,1-3H3,(H2,9,10).
What are the key properties of 4-propan-2-yl-5-propylsulfanyl-1,2,4-triazol-3-amine?
4-propan-2-yl-5-propylsulfanyl-1,2,4-triazol-3-amine has a molecular weight of 200.31 g/mol, XLogP of 1.94, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-propan-2-yl-5-propylsulfanyl-1,2,4-triazol-3-amine is sourced from PubChem (CID 63095762), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).