[2-[(4-methyl-1,2,4-triazol-3-yl)sulfanyl]cyclopentyl]methanamine

C9H16N4S — CID 43530555

IUPAC[2-[(4-methyl-1,2,4-triazol-3-yl)sulfanyl]cyclopentyl]methanamine
SMILESCn1cnnc1SC1CCCC1CN
InChIInChI=1S/C9H16N4S/c1-13-6-11-12-9(13)14-8-4-2-3-7(8)5-10/h6-8H,2-5,10H2,1H3
InChIKeyAXSOKRCCMSOPHS-UHFFFAOYSA-N
MW212.32 g/mol
LogP1.03
Rot. Bonds3

About [2-[(4-methyl-1,2,4-triazol-3-yl)sulfanyl]cyclopentyl]methanamine

[2-[(4-methyl-1,2,4-triazol-3-yl)sulfanyl]cyclopentyl]methanamine (PubChem CID 43530555) has the molecular formula C9H16N4S and a molecular weight of 212.32 g/mol. Its IUPAC name is [2-[(4-methyl-1,2,4-triazol-3-yl)sulfanyl]cyclopentyl]methanamine.

Molecular Properties

Compound Name[2-[(4-methyl-1,2,4-triazol-3-yl)sulfanyl]cyclopentyl]methanamine
PubChem CID43530555
Molecular FormulaC9H16N4S
Molecular Weight212.32 g/mol
Exact Mass212.11
IUPAC Name[2-[(4-methyl-1,2,4-triazol-3-yl)sulfanyl]cyclopentyl]methanamine
SMILESCn1cnnc1SC1CCCC1CN
InChIInChI=1S/C9H16N4S/c1-13-6-11-12-9(13)14-8-4-2-3-7(8)5-10/h6-8H,2-5,10H2,1H3
InChIKeyAXSOKRCCMSOPHS-UHFFFAOYSA-N
XLogP1.03
TPSA56.73 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500212.32
LogP ≤ 51.03
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of [2-[(4-methyl-1,2,4-triazol-3-yl)sulfanyl]cyclopentyl]methanamine?
The IUPAC name of [2-[(4-methyl-1,2,4-triazol-3-yl)sulfanyl]cyclopentyl]methanamine (CID 43530555) is [2-[(4-methyl-1,2,4-triazol-3-yl)sulfanyl]cyclopentyl]methanamine.
What is the SMILES notation for [2-[(4-methyl-1,2,4-triazol-3-yl)sulfanyl]cyclopentyl]methanamine?
The canonical SMILES for [2-[(4-methyl-1,2,4-triazol-3-yl)sulfanyl]cyclopentyl]methanamine is Cn1cnnc1SC1CCCC1CN.
What is the InChIKey of [2-[(4-methyl-1,2,4-triazol-3-yl)sulfanyl]cyclopentyl]methanamine?
The InChIKey is AXSOKRCCMSOPHS-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H16N4S/c1-13-6-11-12-9(13)14-8-4-2-3-7(8)5-10/h6-8H,2-5,10H2,1H3.
What are the key properties of [2-[(4-methyl-1,2,4-triazol-3-yl)sulfanyl]cyclopentyl]methanamine?
[2-[(4-methyl-1,2,4-triazol-3-yl)sulfanyl]cyclopentyl]methanamine has a molecular weight of 212.32 g/mol, XLogP of 1.03, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [2-[(4-methyl-1,2,4-triazol-3-yl)sulfanyl]cyclopentyl]methanamine is sourced from PubChem (CID 43530555), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).