N-butan-2-yl-4-[2-(2-methyl-[1,2,4]triazolo[1,5-c]quinazolin-5-yl)hydrazinyl]-4-oxobutanamide

C18H23N7O2 — CID 12004909

IUPACN-butan-2-yl-4-[2-(2-methyl-[1,2,4]triazolo[1,5-c]quinazolin-5-yl)hydrazinyl]-4-oxobutanamide
SMILESCCC(C)NC(=O)CCC(=O)NNc1nc2ccccc2c2nc(C)nn12
InChIInChI=1S/C18H23N7O2/c1-4-11(2)19-15(26)9-10-16(27)22-23-18-21-14-8-6-5-7-13(14)17-20-12(3)24-25(17)18/h5-8,11H,4,9-10H2,1-3H3,(H,19,26)(H,21,23)(H,22,27)
InChIKeySYSJPJKDMKJEGJ-UHFFFAOYSA-N
MW369.43 g/mol
LogP1.72
Rot. Bonds7

About N-butan-2-yl-4-[2-(2-methyl-[1,2,4]triazolo[1,5-c]quinazolin-5-yl)hydrazinyl]-4-oxobutanamide

N-butan-2-yl-4-[2-(2-methyl-[1,2,4]triazolo[1,5-c]quinazolin-5-yl)hydrazinyl]-4-oxobutanamide (PubChem CID 12004909) has the molecular formula C18H23N7O2 and a molecular weight of 369.43 g/mol. Its IUPAC name is N-butan-2-yl-4-[2-(2-methyl-[1,2,4]triazolo[1,5-c]quinazolin-5-yl)hydrazinyl]-4-oxobutanamide.

Molecular Properties

Compound NameN-butan-2-yl-4-[2-(2-methyl-[1,2,4]triazolo[1,5-c]quinazolin-5-yl)hydrazinyl]-4-oxobutanamide
PubChem CID12004909
Molecular FormulaC18H23N7O2
Molecular Weight369.43 g/mol
Exact Mass369.19
IUPAC NameN-butan-2-yl-4-[2-(2-methyl-[1,2,4]triazolo[1,5-c]quinazolin-5-yl)hydrazinyl]-4-oxobutanamide
SMILESCCC(C)NC(=O)CCC(=O)NNc1nc2ccccc2c2nc(C)nn12
InChIInChI=1S/C18H23N7O2/c1-4-11(2)19-15(26)9-10-16(27)22-23-18-21-14-8-6-5-7-13(14)17-20-12(3)24-25(17)18/h5-8,11H,4,9-10H2,1-3H3,(H,19,26)(H,21,23)(H,22,27)
InChIKeySYSJPJKDMKJEGJ-UHFFFAOYSA-N
XLogP1.72
TPSA113.31 Ų
H-Bond Donors3
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500369.43
LogP ≤ 51.72
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

2-methyl-5-propan-2-yl-[1,2,4]triazolo[1,5-c]quinazoline
CID 58208554
N,N-diethyl-2-[(2-methyl-[1,2,4]triazolo[1,5-c]quinazolin-5-yl)sulfanyl]propanamide
CID 134038533
N-[1-[4-[2-[(2-methyl-[1,2,4]triazolo[1,5-c]quinazolin-5-yl)sulfanyl]acetyl]phenyl]ethyl]acetamide
CID 24601210
3-methyl-1-N-(2-methyl-[1,2,4]triazolo[1,5-c]quinazolin-5-yl)-2-N,2-N-bis(prop-2-enyl)butane-1,2-diamine
CID 56553909
N-benzyl-2-[(2-methyl-[1,2,4]triazolo[1,5-c]quinazolin-5-yl)sulfanyl]butanamide
CID 46683933
N-cycloheptyl-2-methyl-[1,2,4]triazolo[1,5-c]quinazolin-5-amine
CID 56553711
(2R)-2-(2-methoxyphenyl)-2-[(2-methyl-[1,2,4]triazolo[1,5-c]quinazolin-5-yl)amino]ethanol
CID 95628902
N-[(2S)-butan-2-yl]-2-[3-[2-[2-[2-[[(2S)-butan-2-yl]amino]-2-oxoethyl]sulfanyl-4-oxoquinazolin-3-yl]ethyl]-4-oxoquinazolin-2-yl]sulfanylacetamide
CID 98274736
N-butan-2-yl-2-(3-ethyl-4-oxoquinazolin-2-yl)sulfanylacetamide
CID 4813765
2-methyl-N-(4-methylcyclohexyl)-[1,2,4]triazolo[1,5-c]quinazolin-5-amine
CID 56553341
N-(2-fluorophenyl)-2-[(2-methyl-[1,2,4]triazolo[1,5-c]quinazolin-5-yl)sulfanyl]butanamide
CID 3502941
N-(2-methyl-6-propan-2-ylphenyl)-2-[(2-methyl-[1,2,4]triazolo[1,5-c]quinazolin-5-yl)sulfanyl]acetamide
CID 46683994

Frequently Asked Questions

What is the IUPAC name of N-butan-2-yl-4-[2-(2-methyl-[1,2,4]triazolo[1,5-c]quinazolin-5-yl)hydrazinyl]-4-oxobutanamide?
The IUPAC name of N-butan-2-yl-4-[2-(2-methyl-[1,2,4]triazolo[1,5-c]quinazolin-5-yl)hydrazinyl]-4-oxobutanamide (CID 12004909) is N-butan-2-yl-4-[2-(2-methyl-[1,2,4]triazolo[1,5-c]quinazolin-5-yl)hydrazinyl]-4-oxobutanamide.
What is the SMILES notation for N-butan-2-yl-4-[2-(2-methyl-[1,2,4]triazolo[1,5-c]quinazolin-5-yl)hydrazinyl]-4-oxobutanamide?
The canonical SMILES for N-butan-2-yl-4-[2-(2-methyl-[1,2,4]triazolo[1,5-c]quinazolin-5-yl)hydrazinyl]-4-oxobutanamide is CCC(C)NC(=O)CCC(=O)NNc1nc2ccccc2c2nc(C)nn12.
What is the InChIKey of N-butan-2-yl-4-[2-(2-methyl-[1,2,4]triazolo[1,5-c]quinazolin-5-yl)hydrazinyl]-4-oxobutanamide?
The InChIKey is SYSJPJKDMKJEGJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H23N7O2/c1-4-11(2)19-15(26)9-10-16(27)22-23-18-21-14-8-6-5-7-13(14)17-20-12(3)24-25(17)18/h5-8,11H,4,9-10H2,1-3H3,(H,19,26)(H,21,23)(H,22,27).
What are the key properties of N-butan-2-yl-4-[2-(2-methyl-[1,2,4]triazolo[1,5-c]quinazolin-5-yl)hydrazinyl]-4-oxobutanamide?
N-butan-2-yl-4-[2-(2-methyl-[1,2,4]triazolo[1,5-c]quinazolin-5-yl)hydrazinyl]-4-oxobutanamide has a molecular weight of 369.43 g/mol, XLogP of 1.72, 7 rotatable bonds, 3 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-butan-2-yl-4-[2-(2-methyl-[1,2,4]triazolo[1,5-c]quinazolin-5-yl)hydrazinyl]-4-oxobutanamide is sourced from PubChem (CID 12004909), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).