5-cyclopropyl-N-[[4-(morpholin-4-ylmethyl)phenyl]methyl]-1-phenyl-1,2,4-triazole-3-carboxamide

C24H27N5O2 — CID 86881682

IUPAC5-cyclopropyl-N-[[4-(morpholin-4-ylmethyl)phenyl]methyl]-1-phenyl-1,2,4-triazole-3-carboxamide
SMILESO=C(NCc1ccc(CN2CCOCC2)cc1)c1nc(C2CC2)n(-c2ccccc2)n1
InChIInChI=1S/C24H27N5O2/c30-24(22-26-23(20-10-11-20)29(27-22)21-4-2-1-3-5-21)25-16-18-6-8-19(9-7-18)17-28-12-14-31-15-13-28/h1-9,20H,10-17H2,(H,25,30)
InChIKeyNBXBMNJTMIDMMV-UHFFFAOYSA-N
MW417.51 g/mol
LogP2.91
Rot. Bonds7

About 5-cyclopropyl-N-[[4-(morpholin-4-ylmethyl)phenyl]methyl]-1-phenyl-1,2,4-triazole-3-carboxamide

5-cyclopropyl-N-[[4-(morpholin-4-ylmethyl)phenyl]methyl]-1-phenyl-1,2,4-triazole-3-carboxamide (PubChem CID 86881682) has the molecular formula C24H27N5O2 and a molecular weight of 417.51 g/mol. Its IUPAC name is 5-cyclopropyl-N-[[4-(morpholin-4-ylmethyl)phenyl]methyl]-1-phenyl-1,2,4-triazole-3-carboxamide.

Molecular Properties

Compound Name5-cyclopropyl-N-[[4-(morpholin-4-ylmethyl)phenyl]methyl]-1-phenyl-1,2,4-triazole-3-carboxamide
PubChem CID86881682
Molecular FormulaC24H27N5O2
Molecular Weight417.51 g/mol
Exact Mass417.22
IUPAC Name5-cyclopropyl-N-[[4-(morpholin-4-ylmethyl)phenyl]methyl]-1-phenyl-1,2,4-triazole-3-carboxamide
SMILESO=C(NCc1ccc(CN2CCOCC2)cc1)c1nc(C2CC2)n(-c2ccccc2)n1
InChIInChI=1S/C24H27N5O2/c30-24(22-26-23(20-10-11-20)29(27-22)21-4-2-1-3-5-21)25-16-18-6-8-19(9-7-18)17-28-12-14-31-15-13-28/h1-9,20H,10-17H2,(H,25,30)
InChIKeyNBXBMNJTMIDMMV-UHFFFAOYSA-N
XLogP2.91
TPSA72.28 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500417.51
LogP ≤ 52.91
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

5-cyclopropyl-N-[[4-[(2-oxopyrrolidin-1-yl)methyl]phenyl]methyl]-1-phenyl-1,2,4-triazole-3-carboxamide
CID 86881405
N-benzyl-4-(morpholin-4-ylmethyl)benzamide
CID 786772
3-methyl-N-[[4-(morpholin-4-ylmethyl)phenyl]methyl]-1-phenylthieno[3,2-d]pyrazole-5-carboxamide
CID 24549522
5-cyclopropyl-N-[4-[(2,5-dioxopyrrolidin-1-yl)methyl]phenyl]-1-phenyl-1,2,4-triazole-3-carboxamide
CID 86881343
5-methyl-N-(2-morpholin-4-ylethyl)-1-phenyl-1,2,4-triazole-3-carboxamide
CID 42692539
1-benzyl-N-[(4-morpholin-4-ylphenyl)methyl]piperidine-4-carboxamide
CID 46774277
N-[4-(cyanomethyl)phenyl]-5-cyclopropyl-1-phenyl-1,2,4-triazole-3-carboxamide
CID 56823295
5-cyclopropyl-N-[2-[[4-(dimethylamino)phenyl]methyl]pyrazol-3-yl]-1-phenyl-1,2,4-triazole-3-carboxamide
CID 86883841
5-cyclopropyl-N-[3-[(4-methoxyphenyl)methoxy]propyl]-1-phenyl-1,2,4-triazole-3-carboxamide
CID 86883578
1-(4-chlorophenyl)-5-methyl-N-[(4-morpholin-4-ylsulfonylphenyl)methyl]-1,2,4-triazole-3-carboxamide
CID 24548447
5-methyl-N-[[4-[(2-oxo-1-pyridinyl)methyl]phenyl]methyl]-1-phenyl-1,2,4-triazole-3-carboxamide
CID 75462984
5-cyclopropyl-1-phenyl-N-[4-(phenylcarbamoyl)phenyl]-1,2,4-triazole-3-carboxamide
CID 86881454

Frequently Asked Questions

What is the IUPAC name of 5-cyclopropyl-N-[[4-(morpholin-4-ylmethyl)phenyl]methyl]-1-phenyl-1,2,4-triazole-3-carboxamide?
The IUPAC name of 5-cyclopropyl-N-[[4-(morpholin-4-ylmethyl)phenyl]methyl]-1-phenyl-1,2,4-triazole-3-carboxamide (CID 86881682) is 5-cyclopropyl-N-[[4-(morpholin-4-ylmethyl)phenyl]methyl]-1-phenyl-1,2,4-triazole-3-carboxamide.
What is the SMILES notation for 5-cyclopropyl-N-[[4-(morpholin-4-ylmethyl)phenyl]methyl]-1-phenyl-1,2,4-triazole-3-carboxamide?
The canonical SMILES for 5-cyclopropyl-N-[[4-(morpholin-4-ylmethyl)phenyl]methyl]-1-phenyl-1,2,4-triazole-3-carboxamide is O=C(NCc1ccc(CN2CCOCC2)cc1)c1nc(C2CC2)n(-c2ccccc2)n1.
What is the InChIKey of 5-cyclopropyl-N-[[4-(morpholin-4-ylmethyl)phenyl]methyl]-1-phenyl-1,2,4-triazole-3-carboxamide?
The InChIKey is NBXBMNJTMIDMMV-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H27N5O2/c30-24(22-26-23(20-10-11-20)29(27-22)21-4-2-1-3-5-21)25-16-18-6-8-19(9-7-18)17-28-12-14-31-15-13-28/h1-9,20H,10-17H2,(H,25,30).
What are the key properties of 5-cyclopropyl-N-[[4-(morpholin-4-ylmethyl)phenyl]methyl]-1-phenyl-1,2,4-triazole-3-carboxamide?
5-cyclopropyl-N-[[4-(morpholin-4-ylmethyl)phenyl]methyl]-1-phenyl-1,2,4-triazole-3-carboxamide has a molecular weight of 417.51 g/mol, XLogP of 2.91, 7 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-cyclopropyl-N-[[4-(morpholin-4-ylmethyl)phenyl]methyl]-1-phenyl-1,2,4-triazole-3-carboxamide is sourced from PubChem (CID 86881682), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).