N-(3-bicyclo[4.1.0]hept-5-enylmethyl)-3-[5-(2,3-dihydro-1H-inden-2-yl)-4-ethyl-1,2,4-triazol-3-yl]propanamide

C24H30N4O — CID 90130782

IUPACN-(3-bicyclo[4.1.0]hept-5-enylmethyl)-3-[5-(2,3-dihydro-1H-inden-2-yl)-4-ethyl-1,2,4-triazol-3-yl]propanamide
SMILESCCn1c(CCC(=O)NCC2CC=C3CC3C2)nnc1C1Cc2ccccc2C1
InChIInChI=1S/C24H30N4O/c1-2-28-22(9-10-23(29)25-15-16-7-8-19-12-20(19)11-16)26-27-24(28)21-13-17-5-3-4-6-18(17)14-21/h3-6,8,16,20-21H,2,7,9-15H2,1H3,(H,25,29)
InChIKeyULFAQFATAKWWNS-UHFFFAOYSA-N
MW390.53 g/mol
LogP3.59
Rot. Bonds7

About N-(3-bicyclo[4.1.0]hept-5-enylmethyl)-3-[5-(2,3-dihydro-1H-inden-2-yl)-4-ethyl-1,2,4-triazol-3-yl]propanamide

N-(3-bicyclo[4.1.0]hept-5-enylmethyl)-3-[5-(2,3-dihydro-1H-inden-2-yl)-4-ethyl-1,2,4-triazol-3-yl]propanamide (PubChem CID 90130782) has the molecular formula C24H30N4O and a molecular weight of 390.53 g/mol. Its IUPAC name is N-(3-bicyclo[4.1.0]hept-5-enylmethyl)-3-[5-(2,3-dihydro-1H-inden-2-yl)-4-ethyl-1,2,4-triazol-3-yl]propanamide.

Molecular Properties

Compound NameN-(3-bicyclo[4.1.0]hept-5-enylmethyl)-3-[5-(2,3-dihydro-1H-inden-2-yl)-4-ethyl-1,2,4-triazol-3-yl]propanamide
PubChem CID90130782
Molecular FormulaC24H30N4O
Molecular Weight390.53 g/mol
Exact Mass390.24
IUPAC NameN-(3-bicyclo[4.1.0]hept-5-enylmethyl)-3-[5-(2,3-dihydro-1H-inden-2-yl)-4-ethyl-1,2,4-triazol-3-yl]propanamide
SMILESCCn1c(CCC(=O)NCC2CC=C3CC3C2)nnc1C1Cc2ccccc2C1
InChIInChI=1S/C24H30N4O/c1-2-28-22(9-10-23(29)25-15-16-7-8-19-12-20(19)11-16)26-27-24(28)21-13-17-5-3-4-6-18(17)14-21/h3-6,8,16,20-21H,2,7,9-15H2,1H3,(H,25,29)
InChIKeyULFAQFATAKWWNS-UHFFFAOYSA-N
XLogP3.59
TPSA59.81 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500390.53
LogP ≤ 53.59
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of N-(3-bicyclo[4.1.0]hept-5-enylmethyl)-3-[5-(2,3-dihydro-1H-inden-2-yl)-4-ethyl-1,2,4-triazol-3-yl]propanamide?
The IUPAC name of N-(3-bicyclo[4.1.0]hept-5-enylmethyl)-3-[5-(2,3-dihydro-1H-inden-2-yl)-4-ethyl-1,2,4-triazol-3-yl]propanamide (CID 90130782) is N-(3-bicyclo[4.1.0]hept-5-enylmethyl)-3-[5-(2,3-dihydro-1H-inden-2-yl)-4-ethyl-1,2,4-triazol-3-yl]propanamide.
What is the SMILES notation for N-(3-bicyclo[4.1.0]hept-5-enylmethyl)-3-[5-(2,3-dihydro-1H-inden-2-yl)-4-ethyl-1,2,4-triazol-3-yl]propanamide?
The canonical SMILES for N-(3-bicyclo[4.1.0]hept-5-enylmethyl)-3-[5-(2,3-dihydro-1H-inden-2-yl)-4-ethyl-1,2,4-triazol-3-yl]propanamide is CCn1c(CCC(=O)NCC2CC=C3CC3C2)nnc1C1Cc2ccccc2C1.
What is the InChIKey of N-(3-bicyclo[4.1.0]hept-5-enylmethyl)-3-[5-(2,3-dihydro-1H-inden-2-yl)-4-ethyl-1,2,4-triazol-3-yl]propanamide?
The InChIKey is ULFAQFATAKWWNS-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H30N4O/c1-2-28-22(9-10-23(29)25-15-16-7-8-19-12-20(19)11-16)26-27-24(28)21-13-17-5-3-4-6-18(17)14-21/h3-6,8,16,20-21H,2,7,9-15H2,1H3,(H,25,29).
What are the key properties of N-(3-bicyclo[4.1.0]hept-5-enylmethyl)-3-[5-(2,3-dihydro-1H-inden-2-yl)-4-ethyl-1,2,4-triazol-3-yl]propanamide?
N-(3-bicyclo[4.1.0]hept-5-enylmethyl)-3-[5-(2,3-dihydro-1H-inden-2-yl)-4-ethyl-1,2,4-triazol-3-yl]propanamide has a molecular weight of 390.53 g/mol, XLogP of 3.59, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-bicyclo[4.1.0]hept-5-enylmethyl)-3-[5-(2,3-dihydro-1H-inden-2-yl)-4-ethyl-1,2,4-triazol-3-yl]propanamide is sourced from PubChem (CID 90130782), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).