3-[[2-(1-methyl-4,5,6,7-tetrahydrobenzimidazol-2-yl)pyrrolidin-1-yl]methyl]-1,4-dihydro-1,2,4-triazol-5-one

C15H22N6O — CID 154737174

IUPAC3-[[2-(1-methyl-4,5,6,7-tetrahydrobenzimidazol-2-yl)pyrrolidin-1-yl]methyl]-1,4-dihydro-1,2,4-triazol-5-one
SMILESCn1c(C2CCCN2Cc2n[nH]c(=O)[nH]2)nc2c1CCCC2
InChIInChI=1S/C15H22N6O/c1-20-11-6-3-2-5-10(11)16-14(20)12-7-4-8-21(12)9-13-17-15(22)19-18-13/h12H,2-9H2,1H3,(H2,17,18,19,22)
InChIKeyTVGZUYBEFZBCME-UHFFFAOYSA-N
MW302.38 g/mol
LogP1.05
Rot. Bonds3

About 3-[[2-(1-methyl-4,5,6,7-tetrahydrobenzimidazol-2-yl)pyrrolidin-1-yl]methyl]-1,4-dihydro-1,2,4-triazol-5-one

3-[[2-(1-methyl-4,5,6,7-tetrahydrobenzimidazol-2-yl)pyrrolidin-1-yl]methyl]-1,4-dihydro-1,2,4-triazol-5-one (PubChem CID 154737174) has the molecular formula C15H22N6O and a molecular weight of 302.38 g/mol. Its IUPAC name is 3-[[2-(1-methyl-4,5,6,7-tetrahydrobenzimidazol-2-yl)pyrrolidin-1-yl]methyl]-1,4-dihydro-1,2,4-triazol-5-one.

Molecular Properties

Compound Name3-[[2-(1-methyl-4,5,6,7-tetrahydrobenzimidazol-2-yl)pyrrolidin-1-yl]methyl]-1,4-dihydro-1,2,4-triazol-5-one
PubChem CID154737174
Molecular FormulaC15H22N6O
Molecular Weight302.38 g/mol
Exact Mass302.19
IUPAC Name3-[[2-(1-methyl-4,5,6,7-tetrahydrobenzimidazol-2-yl)pyrrolidin-1-yl]methyl]-1,4-dihydro-1,2,4-triazol-5-one
SMILESCn1c(C2CCCN2Cc2n[nH]c(=O)[nH]2)nc2c1CCCC2
InChIInChI=1S/C15H22N6O/c1-20-11-6-3-2-5-10(11)16-14(20)12-7-4-8-21(12)9-13-17-15(22)19-18-13/h12H,2-9H2,1H3,(H2,17,18,19,22)
InChIKeyTVGZUYBEFZBCME-UHFFFAOYSA-N
XLogP1.05
TPSA82.60 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500302.38
LogP ≤ 51.05
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze 3-[[2-(1-methyl-4,5,6,7-tetrahydrobenzimidazol-2-yl)pyrrolidin-1-yl]methyl]-1,4-dihydro-1,2,4-triazol-5-one with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 3-[[2-(1-methyl-4,5,6,7-tetrahydrobenzimidazol-2-yl)pyrrolidin-1-yl]methyl]-1,4-dihydro-1,2,4-triazol-5-one?
The IUPAC name of 3-[[2-(1-methyl-4,5,6,7-tetrahydrobenzimidazol-2-yl)pyrrolidin-1-yl]methyl]-1,4-dihydro-1,2,4-triazol-5-one (CID 154737174) is 3-[[2-(1-methyl-4,5,6,7-tetrahydrobenzimidazol-2-yl)pyrrolidin-1-yl]methyl]-1,4-dihydro-1,2,4-triazol-5-one.
What is the SMILES notation for 3-[[2-(1-methyl-4,5,6,7-tetrahydrobenzimidazol-2-yl)pyrrolidin-1-yl]methyl]-1,4-dihydro-1,2,4-triazol-5-one?
The canonical SMILES for 3-[[2-(1-methyl-4,5,6,7-tetrahydrobenzimidazol-2-yl)pyrrolidin-1-yl]methyl]-1,4-dihydro-1,2,4-triazol-5-one is Cn1c(C2CCCN2Cc2n[nH]c(=O)[nH]2)nc2c1CCCC2.
What is the InChIKey of 3-[[2-(1-methyl-4,5,6,7-tetrahydrobenzimidazol-2-yl)pyrrolidin-1-yl]methyl]-1,4-dihydro-1,2,4-triazol-5-one?
The InChIKey is TVGZUYBEFZBCME-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H22N6O/c1-20-11-6-3-2-5-10(11)16-14(20)12-7-4-8-21(12)9-13-17-15(22)19-18-13/h12H,2-9H2,1H3,(H2,17,18,19,22).
What are the key properties of 3-[[2-(1-methyl-4,5,6,7-tetrahydrobenzimidazol-2-yl)pyrrolidin-1-yl]methyl]-1,4-dihydro-1,2,4-triazol-5-one?
3-[[2-(1-methyl-4,5,6,7-tetrahydrobenzimidazol-2-yl)pyrrolidin-1-yl]methyl]-1,4-dihydro-1,2,4-triazol-5-one has a molecular weight of 302.38 g/mol, XLogP of 1.05, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[[2-(1-methyl-4,5,6,7-tetrahydrobenzimidazol-2-yl)pyrrolidin-1-yl]methyl]-1,4-dihydro-1,2,4-triazol-5-one is sourced from PubChem (CID 154737174), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).