[5-(cyclopentylmethylsulfanyl)-4-ethyl-1,2,4-triazol-3-yl]methanamine

C11H20N4S — CID 63313730

IUPAC[5-(cyclopentylmethylsulfanyl)-4-ethyl-1,2,4-triazol-3-yl]methanamine
SMILESCCn1c(CN)nnc1SCC1CCCC1
InChIInChI=1S/C11H20N4S/c1-2-15-10(7-12)13-14-11(15)16-8-9-5-3-4-6-9/h9H,2-8,12H2,1H3
InChIKeyQTNCQLRECNKZRQ-UHFFFAOYSA-N
MW240.38 g/mol
LogP2.04
Rot. Bonds5

About [5-(cyclopentylmethylsulfanyl)-4-ethyl-1,2,4-triazol-3-yl]methanamine

[5-(cyclopentylmethylsulfanyl)-4-ethyl-1,2,4-triazol-3-yl]methanamine (PubChem CID 63313730) has the molecular formula C11H20N4S and a molecular weight of 240.38 g/mol. Its IUPAC name is [5-(cyclopentylmethylsulfanyl)-4-ethyl-1,2,4-triazol-3-yl]methanamine.

Molecular Properties

Compound Name[5-(cyclopentylmethylsulfanyl)-4-ethyl-1,2,4-triazol-3-yl]methanamine
PubChem CID63313730
Molecular FormulaC11H20N4S
Molecular Weight240.38 g/mol
Exact Mass240.14
IUPAC Name[5-(cyclopentylmethylsulfanyl)-4-ethyl-1,2,4-triazol-3-yl]methanamine
SMILESCCn1c(CN)nnc1SCC1CCCC1
InChIInChI=1S/C11H20N4S/c1-2-15-10(7-12)13-14-11(15)16-8-9-5-3-4-6-9/h9H,2-8,12H2,1H3
InChIKeyQTNCQLRECNKZRQ-UHFFFAOYSA-N
XLogP2.04
TPSA56.73 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500240.38
LogP ≤ 52.04
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

2-[[5-(aminomethyl)-4-ethyl-1,2,4-triazol-3-yl]sulfanyl]cyclohexan-1-ol
CID 55205630
2-[3-(cyclopentylmethylsulfanyl)-5-methyl-1,2,4-triazol-4-yl]ethanamine
CID 65294793
[4-ethyl-5-(2-fluoroethylsulfanyl)-1,2,4-triazol-3-yl]methanamine
CID 80695220
[4-ethyl-5-(2-pyrrolidin-1-ylethylsulfanyl)-1,2,4-triazol-3-yl]methanamine
CID 63313191
3-(cyclohexylmethylsulfanyl)-4-ethyl-5-phenyl-1,2,4-triazole
CID 86058119
4-[5-(cyclohexylmethylsulfanyl)-4-ethyl-1,2,4-triazol-3-yl]pyridine
CID 134040135
2-[[5-(cycloheptylmethyl)-4-ethyl-1,2,4-triazol-3-yl]sulfanyl]acetic acid
CID 114458290
[5-(2,3-dihydro-1-benzofuran-2-ylmethylsulfanyl)-4-ethyl-1,2,4-triazol-3-yl]methanamine
CID 66364557
[5-(2-tert-butylsulfanylethylsulfanyl)-4-ethyl-1,2,4-triazol-3-yl]methanamine
CID 114271321
2-[[5-(aminomethyl)-4-ethyl-1,2,4-triazol-3-yl]sulfanyl]-N-cyclopentylpropanamide
CID 63313317
[5-[(3,3-difluorocyclohexyl)methylsulfanyl]-4-methyl-1,2,4-triazol-3-yl]methanamine
CID 114224148
[4-ethyl-5-[(5-methyl-2,3-dihydro-1-benzofuran-2-yl)methylsulfanyl]-1,2,4-triazol-3-yl]methanamine
CID 66361188

Frequently Asked Questions

What is the IUPAC name of [5-(cyclopentylmethylsulfanyl)-4-ethyl-1,2,4-triazol-3-yl]methanamine?
The IUPAC name of [5-(cyclopentylmethylsulfanyl)-4-ethyl-1,2,4-triazol-3-yl]methanamine (CID 63313730) is [5-(cyclopentylmethylsulfanyl)-4-ethyl-1,2,4-triazol-3-yl]methanamine.
What is the SMILES notation for [5-(cyclopentylmethylsulfanyl)-4-ethyl-1,2,4-triazol-3-yl]methanamine?
The canonical SMILES for [5-(cyclopentylmethylsulfanyl)-4-ethyl-1,2,4-triazol-3-yl]methanamine is CCn1c(CN)nnc1SCC1CCCC1.
What is the InChIKey of [5-(cyclopentylmethylsulfanyl)-4-ethyl-1,2,4-triazol-3-yl]methanamine?
The InChIKey is QTNCQLRECNKZRQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H20N4S/c1-2-15-10(7-12)13-14-11(15)16-8-9-5-3-4-6-9/h9H,2-8,12H2,1H3.
What are the key properties of [5-(cyclopentylmethylsulfanyl)-4-ethyl-1,2,4-triazol-3-yl]methanamine?
[5-(cyclopentylmethylsulfanyl)-4-ethyl-1,2,4-triazol-3-yl]methanamine has a molecular weight of 240.38 g/mol, XLogP of 2.04, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [5-(cyclopentylmethylsulfanyl)-4-ethyl-1,2,4-triazol-3-yl]methanamine is sourced from PubChem (CID 63313730), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).