2-[(5-amino-4-methyl-1,2,4-triazol-3-yl)sulfanyl]-N-(cyclohexen-1-yl)-N-cyclopropylacetamide

C14H21N5OS — CID 60733069

IUPAC2-[(5-amino-4-methyl-1,2,4-triazol-3-yl)sulfanyl]-N-(cyclohexen-1-yl)-N-cyclopropylacetamide
SMILESCn1c(N)nnc1SCC(=O)N(C1=CCCCC1)C1CC1
InChIInChI=1S/C14H21N5OS/c1-18-13(15)16-17-14(18)21-9-12(20)19(11-7-8-11)10-5-3-2-4-6-10/h5,11H,2-4,6-9H2,1H3,(H2,15,16)
InChIKeyOUTYYWKUZNUIMJ-UHFFFAOYSA-N
MW307.42 g/mol
LogP1.94
Rot. Bonds5

About 2-[(5-amino-4-methyl-1,2,4-triazol-3-yl)sulfanyl]-N-(cyclohexen-1-yl)-N-cyclopropylacetamide

2-[(5-amino-4-methyl-1,2,4-triazol-3-yl)sulfanyl]-N-(cyclohexen-1-yl)-N-cyclopropylacetamide (PubChem CID 60733069) has the molecular formula C14H21N5OS and a molecular weight of 307.42 g/mol. Its IUPAC name is 2-[(5-amino-4-methyl-1,2,4-triazol-3-yl)sulfanyl]-N-(cyclohexen-1-yl)-N-cyclopropylacetamide.

Molecular Properties

Compound Name2-[(5-amino-4-methyl-1,2,4-triazol-3-yl)sulfanyl]-N-(cyclohexen-1-yl)-N-cyclopropylacetamide
PubChem CID60733069
Molecular FormulaC14H21N5OS
Molecular Weight307.42 g/mol
Exact Mass307.15
IUPAC Name2-[(5-amino-4-methyl-1,2,4-triazol-3-yl)sulfanyl]-N-(cyclohexen-1-yl)-N-cyclopropylacetamide
SMILESCn1c(N)nnc1SCC(=O)N(C1=CCCCC1)C1CC1
InChIInChI=1S/C14H21N5OS/c1-18-13(15)16-17-14(18)21-9-12(20)19(11-7-8-11)10-5-3-2-4-6-10/h5,11H,2-4,6-9H2,1H3,(H2,15,16)
InChIKeyOUTYYWKUZNUIMJ-UHFFFAOYSA-N
XLogP1.94
TPSA77.04 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500307.42
LogP ≤ 51.94
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 2-[(5-amino-4-methyl-1,2,4-triazol-3-yl)sulfanyl]-N-(cyclohexen-1-yl)-N-cyclopropylacetamide?
The IUPAC name of 2-[(5-amino-4-methyl-1,2,4-triazol-3-yl)sulfanyl]-N-(cyclohexen-1-yl)-N-cyclopropylacetamide (CID 60733069) is 2-[(5-amino-4-methyl-1,2,4-triazol-3-yl)sulfanyl]-N-(cyclohexen-1-yl)-N-cyclopropylacetamide.
What is the SMILES notation for 2-[(5-amino-4-methyl-1,2,4-triazol-3-yl)sulfanyl]-N-(cyclohexen-1-yl)-N-cyclopropylacetamide?
The canonical SMILES for 2-[(5-amino-4-methyl-1,2,4-triazol-3-yl)sulfanyl]-N-(cyclohexen-1-yl)-N-cyclopropylacetamide is Cn1c(N)nnc1SCC(=O)N(C1=CCCCC1)C1CC1.
What is the InChIKey of 2-[(5-amino-4-methyl-1,2,4-triazol-3-yl)sulfanyl]-N-(cyclohexen-1-yl)-N-cyclopropylacetamide?
The InChIKey is OUTYYWKUZNUIMJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H21N5OS/c1-18-13(15)16-17-14(18)21-9-12(20)19(11-7-8-11)10-5-3-2-4-6-10/h5,11H,2-4,6-9H2,1H3,(H2,15,16).
What are the key properties of 2-[(5-amino-4-methyl-1,2,4-triazol-3-yl)sulfanyl]-N-(cyclohexen-1-yl)-N-cyclopropylacetamide?
2-[(5-amino-4-methyl-1,2,4-triazol-3-yl)sulfanyl]-N-(cyclohexen-1-yl)-N-cyclopropylacetamide has a molecular weight of 307.42 g/mol, XLogP of 1.94, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(5-amino-4-methyl-1,2,4-triazol-3-yl)sulfanyl]-N-(cyclohexen-1-yl)-N-cyclopropylacetamide is sourced from PubChem (CID 60733069), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).