3-[1-(1-benzofuran-2-ylmethyl)pyrrolidin-2-yl]-5-methyl-1H-1,2,4-triazole

C16H18N4O — CID 74232912

IUPAC3-[1-(1-benzofuran-2-ylmethyl)pyrrolidin-2-yl]-5-methyl-1H-1,2,4-triazole
SMILESCc1nc(C2CCCN2Cc2cc3ccccc3o2)n[nH]1
InChIInChI=1S/C16H18N4O/c1-11-17-16(19-18-11)14-6-4-8-20(14)10-13-9-12-5-2-3-7-15(12)21-13/h2-3,5,7,9,14H,4,6,8,10H2,1H3,(H,17,18,19)
InChIKeySGWFCPLAIJMWOZ-UHFFFAOYSA-N
MW282.35 g/mol
LogP3.20
Rot. Bonds3

About 3-[1-(1-benzofuran-2-ylmethyl)pyrrolidin-2-yl]-5-methyl-1H-1,2,4-triazole

3-[1-(1-benzofuran-2-ylmethyl)pyrrolidin-2-yl]-5-methyl-1H-1,2,4-triazole (PubChem CID 74232912) has the molecular formula C16H18N4O and a molecular weight of 282.35 g/mol. Its IUPAC name is 3-[1-(1-benzofuran-2-ylmethyl)pyrrolidin-2-yl]-5-methyl-1H-1,2,4-triazole.

Molecular Properties

Compound Name3-[1-(1-benzofuran-2-ylmethyl)pyrrolidin-2-yl]-5-methyl-1H-1,2,4-triazole
PubChem CID74232912
Molecular FormulaC16H18N4O
Molecular Weight282.35 g/mol
Exact Mass282.15
IUPAC Name3-[1-(1-benzofuran-2-ylmethyl)pyrrolidin-2-yl]-5-methyl-1H-1,2,4-triazole
SMILESCc1nc(C2CCCN2Cc2cc3ccccc3o2)n[nH]1
InChIInChI=1S/C16H18N4O/c1-11-17-16(19-18-11)14-6-4-8-20(14)10-13-9-12-5-2-3-7-15(12)21-13/h2-3,5,7,9,14H,4,6,8,10H2,1H3,(H,17,18,19)
InChIKeySGWFCPLAIJMWOZ-UHFFFAOYSA-N
XLogP3.20
TPSA57.95 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500282.35
LogP ≤ 53.20
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 3-[1-(1-benzofuran-2-ylmethyl)pyrrolidin-2-yl]-5-methyl-1H-1,2,4-triazole with MolForge

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

Launch Full Analysis

Related Compounds

5-[[(2S)-2-(5-methyl-1H-1,2,4-triazol-3-yl)pyrrolidin-1-yl]methyl]-3-phenyl-1,2-oxazole
CID 99929165
3-[1-[(5-chlorofuran-2-yl)methyl]pyrrolidin-2-yl]-5-methyl-1H-1,2,4-triazole
CID 77098303
3-[1-[[5-(2-chlorophenyl)furan-2-yl]methyl]pyrrolidin-2-yl]-5-methyl-1H-1,2,4-triazole
CID 74245671
2-[1-(1-benzofuran-2-ylmethyl)pyrrolidin-2-yl]pyrimidine-5-carboxylic acid
CID 146144651
4-chloro-1-methyl-3-[[2-(5-methyl-1H-1,2,4-triazol-3-yl)pyrrolidin-1-yl]methyl]indazole
CID 77095137
2-cyclopropyl-5-[[(2R)-2-(5-methyl-1H-1,2,4-triazol-3-yl)pyrrolidin-1-yl]methyl]-1,3,4-oxadiazole
CID 124750128
8-methoxy-2-[[2-(5-methyl-1H-1,2,4-triazol-3-yl)pyrrolidin-1-yl]methyl]quinoline
CID 74246375
3,5-dichloro-2-[[(2R)-2-(5-methyl-1H-1,2,4-triazol-3-yl)piperidin-1-yl]methyl]pyridine
CID 129492265
3-methyl-2-[[(2R)-2-(5-methyl-1H-1,2,4-triazol-3-yl)piperidin-1-yl]methyl]quinazolin-4-one
CID 129492206
2-[[(2R)-2-(5-methyl-1H-1,2,4-triazol-3-yl)piperidin-1-yl]methyl]pyrimidin-4-amine
CID 129492248
(2S)-1-[2-(2-methylpyrazol-3-yl)ethyl]-2-(5-methyl-1H-1,2,4-triazol-3-yl)piperidine
CID 129492200
2-methyl-7-[[2-(5-methyl-1H-1,2,4-triazol-3-yl)pyrrolidin-1-yl]methyl]-[1,3]thiazolo[3,2-a]pyrimidin-5-one
CID 91839409

Frequently Asked Questions

What is the IUPAC name of 3-[1-(1-benzofuran-2-ylmethyl)pyrrolidin-2-yl]-5-methyl-1H-1,2,4-triazole?
The IUPAC name of 3-[1-(1-benzofuran-2-ylmethyl)pyrrolidin-2-yl]-5-methyl-1H-1,2,4-triazole (CID 74232912) is 3-[1-(1-benzofuran-2-ylmethyl)pyrrolidin-2-yl]-5-methyl-1H-1,2,4-triazole.
What is the SMILES notation for 3-[1-(1-benzofuran-2-ylmethyl)pyrrolidin-2-yl]-5-methyl-1H-1,2,4-triazole?
The canonical SMILES for 3-[1-(1-benzofuran-2-ylmethyl)pyrrolidin-2-yl]-5-methyl-1H-1,2,4-triazole is Cc1nc(C2CCCN2Cc2cc3ccccc3o2)n[nH]1.
What is the InChIKey of 3-[1-(1-benzofuran-2-ylmethyl)pyrrolidin-2-yl]-5-methyl-1H-1,2,4-triazole?
The InChIKey is SGWFCPLAIJMWOZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H18N4O/c1-11-17-16(19-18-11)14-6-4-8-20(14)10-13-9-12-5-2-3-7-15(12)21-13/h2-3,5,7,9,14H,4,6,8,10H2,1H3,(H,17,18,19).
What are the key properties of 3-[1-(1-benzofuran-2-ylmethyl)pyrrolidin-2-yl]-5-methyl-1H-1,2,4-triazole?
3-[1-(1-benzofuran-2-ylmethyl)pyrrolidin-2-yl]-5-methyl-1H-1,2,4-triazole has a molecular weight of 282.35 g/mol, XLogP of 3.20, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[1-(1-benzofuran-2-ylmethyl)pyrrolidin-2-yl]-5-methyl-1H-1,2,4-triazole is sourced from PubChem (CID 74232912), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).