3-(cyclopentylmethyl)-1,4-dihydro-1,2,4-triazol-5-one

C8H13N3O — CID 155017924

IUPAC3-(cyclopentylmethyl)-1,4-dihydro-1,2,4-triazol-5-one
SMILESO=c1[nH]nc(CC2CCCC2)[nH]1
InChIInChI=1S/C8H13N3O/c12-8-9-7(10-11-8)5-6-3-1-2-4-6/h6H,1-5H2,(H2,9,10,11,12)
InChIKeySYWLYWCBZZFJGJ-UHFFFAOYSA-N
MW167.21 g/mol
LogP0.83
Rot. Bonds2

About 3-(cyclopentylmethyl)-1,4-dihydro-1,2,4-triazol-5-one

3-(cyclopentylmethyl)-1,4-dihydro-1,2,4-triazol-5-one (PubChem CID 155017924) has the molecular formula C8H13N3O and a molecular weight of 167.21 g/mol. Its IUPAC name is 3-(cyclopentylmethyl)-1,4-dihydro-1,2,4-triazol-5-one.

Molecular Properties

Compound Name3-(cyclopentylmethyl)-1,4-dihydro-1,2,4-triazol-5-one
PubChem CID155017924
Molecular FormulaC8H13N3O
Molecular Weight167.21 g/mol
Exact Mass167.11
IUPAC Name3-(cyclopentylmethyl)-1,4-dihydro-1,2,4-triazol-5-one
SMILESO=c1[nH]nc(CC2CCCC2)[nH]1
InChIInChI=1S/C8H13N3O/c12-8-9-7(10-11-8)5-6-3-1-2-4-6/h6H,1-5H2,(H2,9,10,11,12)
InChIKeySYWLYWCBZZFJGJ-UHFFFAOYSA-N
XLogP0.83
TPSA61.54 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500167.21
LogP ≤ 50.83
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 3-(cyclopentylmethyl)-1,4-dihydro-1,2,4-triazol-5-one?
The IUPAC name of 3-(cyclopentylmethyl)-1,4-dihydro-1,2,4-triazol-5-one (CID 155017924) is 3-(cyclopentylmethyl)-1,4-dihydro-1,2,4-triazol-5-one.
What is the SMILES notation for 3-(cyclopentylmethyl)-1,4-dihydro-1,2,4-triazol-5-one?
The canonical SMILES for 3-(cyclopentylmethyl)-1,4-dihydro-1,2,4-triazol-5-one is O=c1[nH]nc(CC2CCCC2)[nH]1.
What is the InChIKey of 3-(cyclopentylmethyl)-1,4-dihydro-1,2,4-triazol-5-one?
The InChIKey is SYWLYWCBZZFJGJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H13N3O/c12-8-9-7(10-11-8)5-6-3-1-2-4-6/h6H,1-5H2,(H2,9,10,11,12).
What are the key properties of 3-(cyclopentylmethyl)-1,4-dihydro-1,2,4-triazol-5-one?
3-(cyclopentylmethyl)-1,4-dihydro-1,2,4-triazol-5-one has a molecular weight of 167.21 g/mol, XLogP of 0.83, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(cyclopentylmethyl)-1,4-dihydro-1,2,4-triazol-5-one is sourced from PubChem (CID 155017924), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).