(1R)-1-(4-ethyl-1,2,4-triazol-3-yl)-3-methylsulfanylpropan-1-amine

C8H16N4S — CID 104910672

IUPAC(1R)-1-(4-ethyl-1,2,4-triazol-3-yl)-3-methylsulfanylpropan-1-amine
SMILESCCn1cnnc1[C@H](N)CCSC
InChIInChI=1S/C8H16N4S/c1-3-12-6-10-11-8(12)7(9)4-5-13-2/h6-7H,3-5,9H2,1-2H3/t7-/m1/s1
InChIKeyLQADAOAOLVCYMM-SSDOTTSWSA-N
MW200.31 g/mol
LogP1.05
Rot. Bonds5

About (1R)-1-(4-ethyl-1,2,4-triazol-3-yl)-3-methylsulfanylpropan-1-amine

(1R)-1-(4-ethyl-1,2,4-triazol-3-yl)-3-methylsulfanylpropan-1-amine (PubChem CID 104910672) has the molecular formula C8H16N4S and a molecular weight of 200.31 g/mol. Its IUPAC name is (1R)-1-(4-ethyl-1,2,4-triazol-3-yl)-3-methylsulfanylpropan-1-amine.

Molecular Properties

Compound Name(1R)-1-(4-ethyl-1,2,4-triazol-3-yl)-3-methylsulfanylpropan-1-amine
PubChem CID104910672
Molecular FormulaC8H16N4S
Molecular Weight200.31 g/mol
Exact Mass200.11
IUPAC Name(1R)-1-(4-ethyl-1,2,4-triazol-3-yl)-3-methylsulfanylpropan-1-amine
SMILESCCn1cnnc1[C@H](N)CCSC
InChIInChI=1S/C8H16N4S/c1-3-12-6-10-11-8(12)7(9)4-5-13-2/h6-7H,3-5,9H2,1-2H3/t7-/m1/s1
InChIKeyLQADAOAOLVCYMM-SSDOTTSWSA-N
XLogP1.05
TPSA56.73 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500200.31
LogP ≤ 51.05
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

4-ethyl-3-heptan-4-yl-1,2,4-triazole
CID 82995973
1-[4-(2-methylpropyl)-1,2,4-triazol-3-yl]pentan-1-amine
CID 62709894
4-ethyl-3-pentan-2-yl-1,2,4-triazole
CID 115394788
(S)-(4-ethyl-1,2,4-triazol-3-yl)-phenylmethanamine
CID 94552562
2-(4-ethyl-1,2,4-triazol-3-yl)-2-methoxyethanamine
CID 106110826
1-(5-methyl-4-propan-2-yl-1,2,4-triazol-3-yl)-3-methylsulfanylpropan-1-amine
CID 61378601
(1R)-1-(5-methyl-4-propan-2-yl-1,2,4-triazol-3-yl)-3-methylsulfanylpropan-1-amine
CID 104910664
4-ethyl-3-(1-methylsulfonylethyl)-1,2,4-triazole
CID 104523037
4-ethyl-3-methylsulfanyl-1,2,4-triazole
CID 39969095
ethyl 2-(4-ethyl-1,2,4-triazol-3-yl)propanoate
CID 79472412
(1R)-1-(4-propan-2-yl-1,2,4-triazol-3-yl)butan-1-amine
CID 94552688
1-[4-(2-methylpropyl)-1,2,4-triazol-3-yl]-3-phenylpropan-1-amine
CID 114920922

Frequently Asked Questions

What is the IUPAC name of (1R)-1-(4-ethyl-1,2,4-triazol-3-yl)-3-methylsulfanylpropan-1-amine?
The IUPAC name of (1R)-1-(4-ethyl-1,2,4-triazol-3-yl)-3-methylsulfanylpropan-1-amine (CID 104910672) is (1R)-1-(4-ethyl-1,2,4-triazol-3-yl)-3-methylsulfanylpropan-1-amine.
What is the SMILES notation for (1R)-1-(4-ethyl-1,2,4-triazol-3-yl)-3-methylsulfanylpropan-1-amine?
The canonical SMILES for (1R)-1-(4-ethyl-1,2,4-triazol-3-yl)-3-methylsulfanylpropan-1-amine is CCn1cnnc1[C@H](N)CCSC.
What is the InChIKey of (1R)-1-(4-ethyl-1,2,4-triazol-3-yl)-3-methylsulfanylpropan-1-amine?
The InChIKey is LQADAOAOLVCYMM-SSDOTTSWSA-N. The full InChI is InChI=1S/C8H16N4S/c1-3-12-6-10-11-8(12)7(9)4-5-13-2/h6-7H,3-5,9H2,1-2H3/t7-/m1/s1.
What are the key properties of (1R)-1-(4-ethyl-1,2,4-triazol-3-yl)-3-methylsulfanylpropan-1-amine?
(1R)-1-(4-ethyl-1,2,4-triazol-3-yl)-3-methylsulfanylpropan-1-amine has a molecular weight of 200.31 g/mol, XLogP of 1.05, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (1R)-1-(4-ethyl-1,2,4-triazol-3-yl)-3-methylsulfanylpropan-1-amine is sourced from PubChem (CID 104910672), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).