N-[(3-methyl-1-benzofuran-2-yl)methyl]-1-(2-piperazin-1-ylethyl)triazole-4-carboxamide

C19H24N6O2 — CID 70768806

IUPACN-[(3-methyl-1-benzofuran-2-yl)methyl]-1-(2-piperazin-1-ylethyl)triazole-4-carboxamide
SMILESCc1c(CNC(=O)c2cn(CCN3CCNCC3)nn2)oc2ccccc12
InChIInChI=1S/C19H24N6O2/c1-14-15-4-2-3-5-17(15)27-18(14)12-21-19(26)16-13-25(23-22-16)11-10-24-8-6-20-7-9-24/h2-5,13,20H,6-12H2,1H3,(H,21,26)
InChIKeyBNMOZBDHSGIGKC-UHFFFAOYSA-N
MW368.44 g/mol
LogP1.17
Rot. Bonds6

About N-[(3-methyl-1-benzofuran-2-yl)methyl]-1-(2-piperazin-1-ylethyl)triazole-4-carboxamide

N-[(3-methyl-1-benzofuran-2-yl)methyl]-1-(2-piperazin-1-ylethyl)triazole-4-carboxamide (PubChem CID 70768806) has the molecular formula C19H24N6O2 and a molecular weight of 368.44 g/mol. Its IUPAC name is N-[(3-methyl-1-benzofuran-2-yl)methyl]-1-(2-piperazin-1-ylethyl)triazole-4-carboxamide.

Molecular Properties

Compound NameN-[(3-methyl-1-benzofuran-2-yl)methyl]-1-(2-piperazin-1-ylethyl)triazole-4-carboxamide
PubChem CID70768806
Molecular FormulaC19H24N6O2
Molecular Weight368.44 g/mol
Exact Mass368.20
IUPAC NameN-[(3-methyl-1-benzofuran-2-yl)methyl]-1-(2-piperazin-1-ylethyl)triazole-4-carboxamide
SMILESCc1c(CNC(=O)c2cn(CCN3CCNCC3)nn2)oc2ccccc12
InChIInChI=1S/C19H24N6O2/c1-14-15-4-2-3-5-17(15)27-18(14)12-21-19(26)16-13-25(23-22-16)11-10-24-8-6-20-7-9-24/h2-5,13,20H,6-12H2,1H3,(H,21,26)
InChIKeyBNMOZBDHSGIGKC-UHFFFAOYSA-N
XLogP1.17
TPSA88.22 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500368.44
LogP ≤ 51.17
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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Related Compounds

N-[(2-methyl-3,4-dihydro-1H-isoquinolin-3-yl)methyl]-1-(2-piperazin-1-ylethyl)triazole-4-carboxamide
CID 70787493
N-[2-(5-cyclobutyl-1,2,4-oxadiazol-3-yl)ethyl]-1-(2-piperazin-1-ylethyl)triazole-4-carboxamide
CID 70748111
2-(3-methyl-1-benzofuran-2-yl)-1-piperazin-1-ylethanone
CID 82264272
N-[(4,5-dimethyl-1,3-thiazol-2-yl)methyl]-1-(2-morpholin-4-ylethyl)triazole-4-carboxamide
CID 28737024
1-(3-methylbutyl)-N-(3-piperazin-1-ylpropyl)triazole-4-carboxamide;hydrochloride
CID 119391025
N-benzyl-1-(2-(18F)fluoroethyl)triazole-4-carboxamide
CID 59757295
2-amino-N-[(3-methyl-1-benzofuran-2-yl)methyl]acetamide
CID 83620719
N-[(3-methyl-1-benzofuran-2-yl)methyl]-2,8-diazaspiro[4.5]decane-3-carboxamide;dihydrochloride
CID 154895193
1-(4-methylphenyl)-N-(2-piperazin-1-ylethyl)triazole-4-carboxamide
CID 119445625
1-[(2-methylphenyl)methyl]-N-[[4-(pyrrolidin-1-ylmethyl)phenyl]methyl]triazole-4-carboxamide
CID 25282296
2-(cyclopropylmethylamino)-N-[(3-methyl-1-benzofuran-2-yl)methyl]acetamide;hydrochloride
CID 119789569
2-amino-2-methyl-N-[(3-methyl-1-benzofuran-2-yl)methyl]pentanamide
CID 119789592

Frequently Asked Questions

What is the IUPAC name of N-[(3-methyl-1-benzofuran-2-yl)methyl]-1-(2-piperazin-1-ylethyl)triazole-4-carboxamide?
The IUPAC name of N-[(3-methyl-1-benzofuran-2-yl)methyl]-1-(2-piperazin-1-ylethyl)triazole-4-carboxamide (CID 70768806) is N-[(3-methyl-1-benzofuran-2-yl)methyl]-1-(2-piperazin-1-ylethyl)triazole-4-carboxamide.
What is the SMILES notation for N-[(3-methyl-1-benzofuran-2-yl)methyl]-1-(2-piperazin-1-ylethyl)triazole-4-carboxamide?
The canonical SMILES for N-[(3-methyl-1-benzofuran-2-yl)methyl]-1-(2-piperazin-1-ylethyl)triazole-4-carboxamide is Cc1c(CNC(=O)c2cn(CCN3CCNCC3)nn2)oc2ccccc12.
What is the InChIKey of N-[(3-methyl-1-benzofuran-2-yl)methyl]-1-(2-piperazin-1-ylethyl)triazole-4-carboxamide?
The InChIKey is BNMOZBDHSGIGKC-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H24N6O2/c1-14-15-4-2-3-5-17(15)27-18(14)12-21-19(26)16-13-25(23-22-16)11-10-24-8-6-20-7-9-24/h2-5,13,20H,6-12H2,1H3,(H,21,26).
What are the key properties of N-[(3-methyl-1-benzofuran-2-yl)methyl]-1-(2-piperazin-1-ylethyl)triazole-4-carboxamide?
N-[(3-methyl-1-benzofuran-2-yl)methyl]-1-(2-piperazin-1-ylethyl)triazole-4-carboxamide has a molecular weight of 368.44 g/mol, XLogP of 1.17, 6 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(3-methyl-1-benzofuran-2-yl)methyl]-1-(2-piperazin-1-ylethyl)triazole-4-carboxamide is sourced from PubChem (CID 70768806), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).