[2-(1H-1,2,4-triazol-5-ylsulfanyl)cyclopentyl]methanamine

C8H14N4S — CID 43530242

IUPAC[2-(1H-1,2,4-triazol-5-ylsulfanyl)cyclopentyl]methanamine
SMILESNCC1CCCC1Sc1ncn[nH]1
InChIInChI=1S/C8H14N4S/c9-4-6-2-1-3-7(6)13-8-10-5-11-12-8/h5-7H,1-4,9H2,(H,10,11,12)
InChIKeyMOUPOGXICCRKIM-UHFFFAOYSA-N
MW198.29 g/mol
LogP1.02
Rot. Bonds3

About [2-(1H-1,2,4-triazol-5-ylsulfanyl)cyclopentyl]methanamine

[2-(1H-1,2,4-triazol-5-ylsulfanyl)cyclopentyl]methanamine (PubChem CID 43530242) has the molecular formula C8H14N4S and a molecular weight of 198.29 g/mol. Its IUPAC name is [2-(1H-1,2,4-triazol-5-ylsulfanyl)cyclopentyl]methanamine.

Molecular Properties

Compound Name[2-(1H-1,2,4-triazol-5-ylsulfanyl)cyclopentyl]methanamine
PubChem CID43530242
Molecular FormulaC8H14N4S
Molecular Weight198.29 g/mol
Exact Mass198.09
IUPAC Name[2-(1H-1,2,4-triazol-5-ylsulfanyl)cyclopentyl]methanamine
SMILESNCC1CCCC1Sc1ncn[nH]1
InChIInChI=1S/C8H14N4S/c9-4-6-2-1-3-7(6)13-8-10-5-11-12-8/h5-7H,1-4,9H2,(H,10,11,12)
InChIKeyMOUPOGXICCRKIM-UHFFFAOYSA-N
XLogP1.02
TPSA67.59 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500198.29
LogP ≤ 51.02
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of [2-(1H-1,2,4-triazol-5-ylsulfanyl)cyclopentyl]methanamine?
The IUPAC name of [2-(1H-1,2,4-triazol-5-ylsulfanyl)cyclopentyl]methanamine (CID 43530242) is [2-(1H-1,2,4-triazol-5-ylsulfanyl)cyclopentyl]methanamine.
What is the SMILES notation for [2-(1H-1,2,4-triazol-5-ylsulfanyl)cyclopentyl]methanamine?
The canonical SMILES for [2-(1H-1,2,4-triazol-5-ylsulfanyl)cyclopentyl]methanamine is NCC1CCCC1Sc1ncn[nH]1.
What is the InChIKey of [2-(1H-1,2,4-triazol-5-ylsulfanyl)cyclopentyl]methanamine?
The InChIKey is MOUPOGXICCRKIM-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H14N4S/c9-4-6-2-1-3-7(6)13-8-10-5-11-12-8/h5-7H,1-4,9H2,(H,10,11,12).
What are the key properties of [2-(1H-1,2,4-triazol-5-ylsulfanyl)cyclopentyl]methanamine?
[2-(1H-1,2,4-triazol-5-ylsulfanyl)cyclopentyl]methanamine has a molecular weight of 198.29 g/mol, XLogP of 1.02, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [2-(1H-1,2,4-triazol-5-ylsulfanyl)cyclopentyl]methanamine is sourced from PubChem (CID 43530242), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).