N-[1-(tert-butylamino)-1-oxopropan-2-yl]-1,5-diphenyl-1,2,4-triazole-3-carboxamide

C22H25N5O2 — CID 47798363

IUPACN-[1-(tert-butylamino)-1-oxopropan-2-yl]-1,5-diphenyl-1,2,4-triazole-3-carboxamide
SMILESCC(NC(=O)c1nc(-c2ccccc2)n(-c2ccccc2)n1)C(=O)NC(C)(C)C
InChIInChI=1S/C22H25N5O2/c1-15(20(28)25-22(2,3)4)23-21(29)18-24-19(16-11-7-5-8-12-16)27(26-18)17-13-9-6-10-14-17/h5-15H,1-4H3,(H,23,29)(H,25,28)
InChIKeyQACAKGWQPXSELM-UHFFFAOYSA-N
MW391.48 g/mol
LogP2.97
Rot. Bonds5

About N-[1-(tert-butylamino)-1-oxopropan-2-yl]-1,5-diphenyl-1,2,4-triazole-3-carboxamide

N-[1-(tert-butylamino)-1-oxopropan-2-yl]-1,5-diphenyl-1,2,4-triazole-3-carboxamide (PubChem CID 47798363) has the molecular formula C22H25N5O2 and a molecular weight of 391.48 g/mol. Its IUPAC name is N-[1-(tert-butylamino)-1-oxopropan-2-yl]-1,5-diphenyl-1,2,4-triazole-3-carboxamide.

Molecular Properties

Compound NameN-[1-(tert-butylamino)-1-oxopropan-2-yl]-1,5-diphenyl-1,2,4-triazole-3-carboxamide
PubChem CID47798363
Molecular FormulaC22H25N5O2
Molecular Weight391.48 g/mol
Exact Mass391.20
IUPAC NameN-[1-(tert-butylamino)-1-oxopropan-2-yl]-1,5-diphenyl-1,2,4-triazole-3-carboxamide
SMILESCC(NC(=O)c1nc(-c2ccccc2)n(-c2ccccc2)n1)C(=O)NC(C)(C)C
InChIInChI=1S/C22H25N5O2/c1-15(20(28)25-22(2,3)4)23-21(29)18-24-19(16-11-7-5-8-12-16)27(26-18)17-13-9-6-10-14-17/h5-15H,1-4H3,(H,23,29)(H,25,28)
InChIKeyQACAKGWQPXSELM-UHFFFAOYSA-N
XLogP2.97
TPSA88.91 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500391.48
LogP ≤ 52.97
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

N-[1-(4-methylsulfonylphenyl)ethyl]-1,5-diphenyl-1,2,4-triazole-3-carboxamide
CID 55433250
N'-(1,5-diphenyl-1,2,4-triazole-3-carbonyl)-5-methyl-2-phenyltriazole-4-carbohydrazide
CID 46652364
1,5-diphenyl-1,2,4-triazole-3-carbohydrazide
CID 2451355
(3S)-3-[(1,5-diphenyl-1,2,4-triazole-3-carbonyl)amino]-3-phenylpropanoic acid
CID 71240288
(3S)-3-[(1,5-diphenyl-1,2,4-triazole-3-carbonyl)amino]-3-(2-methylphenyl)propanoic acid
CID 71268833
N-(2-hydroxy-2-phenylethyl)-1,5-diphenyl-1,2,4-triazole-3-carboxamide
CID 112771643
N-(2-ethylphenyl)-1,5-diphenyl-1,2,4-triazole-3-carboxamide
CID 4851911
N-(5-fluoro-2-methylphenyl)-1,5-diphenyl-1,2,4-triazole-3-carboxamide
CID 4799414
N-tert-butyl-2-[(1,5-diphenyl-1,2,4-triazol-3-yl)sulfanyl]acetamide
CID 17288734
6-[[1-(tert-butylamino)-1-oxopropan-2-yl]carbamoyl]pyridine-2-carboxylic acid
CID 115730289
3-(2,4-dichlorophenyl)-3-[(1,5-diphenyl-1,2,4-triazole-3-carbonyl)amino]propanoic acid
CID 71269072
N-(tert-butylcarbamoyl)-2-[(3,5-dimethyl-1-phenylpyrazol-4-yl)amino]propanamide
CID 51338271

Frequently Asked Questions

What is the IUPAC name of N-[1-(tert-butylamino)-1-oxopropan-2-yl]-1,5-diphenyl-1,2,4-triazole-3-carboxamide?
The IUPAC name of N-[1-(tert-butylamino)-1-oxopropan-2-yl]-1,5-diphenyl-1,2,4-triazole-3-carboxamide (CID 47798363) is N-[1-(tert-butylamino)-1-oxopropan-2-yl]-1,5-diphenyl-1,2,4-triazole-3-carboxamide.
What is the SMILES notation for N-[1-(tert-butylamino)-1-oxopropan-2-yl]-1,5-diphenyl-1,2,4-triazole-3-carboxamide?
The canonical SMILES for N-[1-(tert-butylamino)-1-oxopropan-2-yl]-1,5-diphenyl-1,2,4-triazole-3-carboxamide is CC(NC(=O)c1nc(-c2ccccc2)n(-c2ccccc2)n1)C(=O)NC(C)(C)C.
What is the InChIKey of N-[1-(tert-butylamino)-1-oxopropan-2-yl]-1,5-diphenyl-1,2,4-triazole-3-carboxamide?
The InChIKey is QACAKGWQPXSELM-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H25N5O2/c1-15(20(28)25-22(2,3)4)23-21(29)18-24-19(16-11-7-5-8-12-16)27(26-18)17-13-9-6-10-14-17/h5-15H,1-4H3,(H,23,29)(H,25,28).
What are the key properties of N-[1-(tert-butylamino)-1-oxopropan-2-yl]-1,5-diphenyl-1,2,4-triazole-3-carboxamide?
N-[1-(tert-butylamino)-1-oxopropan-2-yl]-1,5-diphenyl-1,2,4-triazole-3-carboxamide has a molecular weight of 391.48 g/mol, XLogP of 2.97, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(tert-butylamino)-1-oxopropan-2-yl]-1,5-diphenyl-1,2,4-triazole-3-carboxamide is sourced from PubChem (CID 47798363), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).