N-(triazol-1-yl)-2,3,4,5-tetrahydro-1-benzazepine-1-carboxamide

C13H15N5O — CID 69221941

IUPACN-(triazol-1-yl)-2,3,4,5-tetrahydro-1-benzazepine-1-carboxamide
SMILESO=C(Nn1ccnn1)N1CCCCc2ccccc21
InChIInChI=1S/C13H15N5O/c19-13(15-18-10-8-14-16-18)17-9-4-3-6-11-5-1-2-7-12(11)17/h1-2,5,7-8,10H,3-4,6,9H2,(H,15,19)
InChIKeyREXGMHXHTIVCLC-UHFFFAOYSA-N
MW257.30 g/mol
LogP1.78
Rot. Bonds1

About N-(triazol-1-yl)-2,3,4,5-tetrahydro-1-benzazepine-1-carboxamide

N-(triazol-1-yl)-2,3,4,5-tetrahydro-1-benzazepine-1-carboxamide (PubChem CID 69221941) has the molecular formula C13H15N5O and a molecular weight of 257.30 g/mol. Its IUPAC name is N-(triazol-1-yl)-2,3,4,5-tetrahydro-1-benzazepine-1-carboxamide.

Molecular Properties

Compound NameN-(triazol-1-yl)-2,3,4,5-tetrahydro-1-benzazepine-1-carboxamide
PubChem CID69221941
Molecular FormulaC13H15N5O
Molecular Weight257.30 g/mol
Exact Mass257.13
IUPAC NameN-(triazol-1-yl)-2,3,4,5-tetrahydro-1-benzazepine-1-carboxamide
SMILESO=C(Nn1ccnn1)N1CCCCc2ccccc21
InChIInChI=1S/C13H15N5O/c19-13(15-18-10-8-14-16-18)17-9-4-3-6-11-5-1-2-7-12(11)17/h1-2,5,7-8,10H,3-4,6,9H2,(H,15,19)
InChIKeyREXGMHXHTIVCLC-UHFFFAOYSA-N
XLogP1.78
TPSA63.05 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500257.30
LogP ≤ 51.78
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-pyridin-3-yl-2,3,4,5-tetrahydro-1-benzazepine-1-carboxamide
CID 166316460
N-cyclopropyl-2,3,4,5-tetrahydro-1-benzazepine-1-carboxamide
CID 113225655
2,3,4,5-tetrahydro-1-benzazepine-1-carboxylic acid
CID 90953923
N-benzoyl-2,3,4,5-tetrahydro-1-benzazepine-1-carboxamide
CID 69369112
N-cycloheptyl-2,3,4,5-tetrahydro-1-benzazepine-1-carboxamide
CID 69221349
N-(4-hydroxyphenyl)-3,4,5,6-tetrahydro-2H-1-benzazocine-1-carboxamide
CID 69223923
N-(1H-1,2,4-triazol-5-yl)-2,3,4,5-tetrahydro-1-benzazepine-1-carboxamide
CID 45087001
1-(3,4-dihydro-2H-quinolin-1-yl)ethanone;ethane
CID 143423489
N-(5-methyl-1,3,4-thiadiazol-2-yl)-2,3,4,5-tetrahydro-1-benzazepine-1-carboxamide
CID 138054103
(2R)-3-hydroxy-2-(2,3,4,5-tetrahydro-1-benzazepine-1-carbonylamino)propanoic acid
CID 80757153
N-(cyclohexylmethyl)-2,3,4,5-tetrahydro-1-benzazepine-1-carboxamide
CID 69223772
N-(3-phenylpropyl)-2,3,4,5-tetrahydro-1-benzazepine-1-carboxamide
CID 69224185

Frequently Asked Questions

What is the IUPAC name of N-(triazol-1-yl)-2,3,4,5-tetrahydro-1-benzazepine-1-carboxamide?
The IUPAC name of N-(triazol-1-yl)-2,3,4,5-tetrahydro-1-benzazepine-1-carboxamide (CID 69221941) is N-(triazol-1-yl)-2,3,4,5-tetrahydro-1-benzazepine-1-carboxamide.
What is the SMILES notation for N-(triazol-1-yl)-2,3,4,5-tetrahydro-1-benzazepine-1-carboxamide?
The canonical SMILES for N-(triazol-1-yl)-2,3,4,5-tetrahydro-1-benzazepine-1-carboxamide is O=C(Nn1ccnn1)N1CCCCc2ccccc21.
What is the InChIKey of N-(triazol-1-yl)-2,3,4,5-tetrahydro-1-benzazepine-1-carboxamide?
The InChIKey is REXGMHXHTIVCLC-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H15N5O/c19-13(15-18-10-8-14-16-18)17-9-4-3-6-11-5-1-2-7-12(11)17/h1-2,5,7-8,10H,3-4,6,9H2,(H,15,19).
What are the key properties of N-(triazol-1-yl)-2,3,4,5-tetrahydro-1-benzazepine-1-carboxamide?
N-(triazol-1-yl)-2,3,4,5-tetrahydro-1-benzazepine-1-carboxamide has a molecular weight of 257.30 g/mol, XLogP of 1.78, 1 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(triazol-1-yl)-2,3,4,5-tetrahydro-1-benzazepine-1-carboxamide is sourced from PubChem (CID 69221941), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).