N-cyclohexyl-4,6-dihydrotriazolo[1,5-a][1,4]benzodiazepine-5-carboxamide

C17H21N5O — CID 44825913

IUPACN-cyclohexyl-4,6-dihydrotriazolo[1,5-a][1,4]benzodiazepine-5-carboxamide
SMILESO=C(NC1CCCCC1)N1Cc2ccccc2-n2nncc2C1
InChIInChI=1S/C17H21N5O/c23-17(19-14-7-2-1-3-8-14)21-11-13-6-4-5-9-16(13)22-15(12-21)10-18-20-22/h4-6,9-10,14H,1-3,7-8,11-12H2,(H,19,23)
InChIKeyFGJIGBMMAICXCC-UHFFFAOYSA-N
MW311.39 g/mol
LogP2.63
Rot. Bonds1

About N-cyclohexyl-4,6-dihydrotriazolo[1,5-a][1,4]benzodiazepine-5-carboxamide

N-cyclohexyl-4,6-dihydrotriazolo[1,5-a][1,4]benzodiazepine-5-carboxamide (PubChem CID 44825913) has the molecular formula C17H21N5O and a molecular weight of 311.39 g/mol. Its IUPAC name is N-cyclohexyl-4,6-dihydrotriazolo[1,5-a][1,4]benzodiazepine-5-carboxamide.

Molecular Properties

Compound NameN-cyclohexyl-4,6-dihydrotriazolo[1,5-a][1,4]benzodiazepine-5-carboxamide
PubChem CID44825913
Molecular FormulaC17H21N5O
Molecular Weight311.39 g/mol
Exact Mass311.17
IUPAC NameN-cyclohexyl-4,6-dihydrotriazolo[1,5-a][1,4]benzodiazepine-5-carboxamide
SMILESO=C(NC1CCCCC1)N1Cc2ccccc2-n2nncc2C1
InChIInChI=1S/C17H21N5O/c23-17(19-14-7-2-1-3-8-14)21-11-13-6-4-5-9-16(13)22-15(12-21)10-18-20-22/h4-6,9-10,14H,1-3,7-8,11-12H2,(H,19,23)
InChIKeyFGJIGBMMAICXCC-UHFFFAOYSA-N
XLogP2.63
TPSA63.05 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500311.39
LogP ≤ 52.63
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-cyclohexyl-4,6-dihydrotriazolo[1,5-a][1,4]benzodiazepine-5-carboxamide?
The IUPAC name of N-cyclohexyl-4,6-dihydrotriazolo[1,5-a][1,4]benzodiazepine-5-carboxamide (CID 44825913) is N-cyclohexyl-4,6-dihydrotriazolo[1,5-a][1,4]benzodiazepine-5-carboxamide.
What is the SMILES notation for N-cyclohexyl-4,6-dihydrotriazolo[1,5-a][1,4]benzodiazepine-5-carboxamide?
The canonical SMILES for N-cyclohexyl-4,6-dihydrotriazolo[1,5-a][1,4]benzodiazepine-5-carboxamide is O=C(NC1CCCCC1)N1Cc2ccccc2-n2nncc2C1.
What is the InChIKey of N-cyclohexyl-4,6-dihydrotriazolo[1,5-a][1,4]benzodiazepine-5-carboxamide?
The InChIKey is FGJIGBMMAICXCC-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H21N5O/c23-17(19-14-7-2-1-3-8-14)21-11-13-6-4-5-9-16(13)22-15(12-21)10-18-20-22/h4-6,9-10,14H,1-3,7-8,11-12H2,(H,19,23).
What are the key properties of N-cyclohexyl-4,6-dihydrotriazolo[1,5-a][1,4]benzodiazepine-5-carboxamide?
N-cyclohexyl-4,6-dihydrotriazolo[1,5-a][1,4]benzodiazepine-5-carboxamide has a molecular weight of 311.39 g/mol, XLogP of 2.63, 1 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-cyclohexyl-4,6-dihydrotriazolo[1,5-a][1,4]benzodiazepine-5-carboxamide is sourced from PubChem (CID 44825913), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).