(3R)-N-[(1-cyclopropyltetrazol-5-yl)methyl]-1,3-dimethyl-3,5-dihydro-2H-1,4-benzodiazepine-4-carboxamide

C17H23N7O — CID 96995558

IUPAC(3R)-N-[(1-cyclopropyltetrazol-5-yl)methyl]-1,3-dimethyl-3,5-dihydro-2H-1,4-benzodiazepine-4-carboxamide
SMILESC[C@@H]1CN(C)c2ccccc2CN1C(=O)NCc1nnnn1C1CC1
InChIInChI=1S/C17H23N7O/c1-12-10-22(2)15-6-4-3-5-13(15)11-23(12)17(25)18-9-16-19-20-21-24(16)14-7-8-14/h3-6,12,14H,7-11H2,1-2H3,(H,18,25)/t12-/m1/s1
InChIKeyYTBRVCZKKYZJGP-GFCCVEGCSA-N
MW341.42 g/mol
LogP1.56
Rot. Bonds3

About (3R)-N-[(1-cyclopropyltetrazol-5-yl)methyl]-1,3-dimethyl-3,5-dihydro-2H-1,4-benzodiazepine-4-carboxamide

(3R)-N-[(1-cyclopropyltetrazol-5-yl)methyl]-1,3-dimethyl-3,5-dihydro-2H-1,4-benzodiazepine-4-carboxamide (PubChem CID 96995558) has the molecular formula C17H23N7O and a molecular weight of 341.42 g/mol. Its IUPAC name is (3R)-N-[(1-cyclopropyltetrazol-5-yl)methyl]-1,3-dimethyl-3,5-dihydro-2H-1,4-benzodiazepine-4-carboxamide.

Molecular Properties

Compound Name(3R)-N-[(1-cyclopropyltetrazol-5-yl)methyl]-1,3-dimethyl-3,5-dihydro-2H-1,4-benzodiazepine-4-carboxamide
PubChem CID96995558
Molecular FormulaC17H23N7O
Molecular Weight341.42 g/mol
Exact Mass341.20
IUPAC Name(3R)-N-[(1-cyclopropyltetrazol-5-yl)methyl]-1,3-dimethyl-3,5-dihydro-2H-1,4-benzodiazepine-4-carboxamide
SMILESC[C@@H]1CN(C)c2ccccc2CN1C(=O)NCc1nnnn1C1CC1
InChIInChI=1S/C17H23N7O/c1-12-10-22(2)15-6-4-3-5-13(15)11-23(12)17(25)18-9-16-19-20-21-24(16)14-7-8-14/h3-6,12,14H,7-11H2,1-2H3,(H,18,25)/t12-/m1/s1
InChIKeyYTBRVCZKKYZJGP-GFCCVEGCSA-N
XLogP1.56
TPSA79.18 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500341.42
LogP ≤ 51.56
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze (3R)-N-[(1-cyclopropyltetrazol-5-yl)methyl]-1,3-dimethyl-3,5-dihydro-2H-1,4-benzodiazepine-4-carboxamide with MolForge

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Related Compounds

1-{1-[1-(4-Fluoro-benzyl)-1H-tetrazol-5-ylmethyl]-piperidin-4-yl}-3-(2-fluoro-phenyl)-urea
CID 651222
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CID 2370829
1-[3-(1-Cyclopropyltetrazol-5-yl)phenyl]-3-[2-(4-methylpiperidin-1-yl)propyl]urea
CID 51127008
N-[(1-cyclopropyltetrazol-5-yl)methyl]-N,2,4-trimethylaniline
CID 52679425
N-[(1-cyclopropyltetrazol-5-yl)methyl]-N-ethyl-2,5-dimethylaniline
CID 71887632
1-[2-(Dimethylamino)ethyl]-3-[3-fluoro-4-(1-propan-2-yltetrazol-5-yl)phenyl]-1-methylurea
CID 84601059
1-[[2-(3,5-Dimethyl-1,2,4-triazol-4-yl)phenyl]methyl]-3-methylurea
CID 155550256
3-Cyclopropyl-N-(3-methylphenyl)-5H,6H,7H,8H,9H-[1,2,4]triazolo[4,3-D][1,4]diazepine-7-carboxamide
CID 91909751
3-(3-Cyclopropyl-4H-1,2,4-triazol-4-YL)-N~1~-(2-ethylphenyl)-1-pyrrolidinecarboxamide
CID 91914758
3-(1-Methyl-1H-1,2,3,4-tetrazol-5-YL)-N-(3-methylphenyl)piperidine-1-carboxamide
CID 110196499
2-[(1-cyclopropyltetrazol-5-yl)methyl-ethylamino]-N-[2-(trifluoromethyl)phenyl]acetamide
CID 47069557
N-[(1-butyltetrazol-5-yl)methyl]-N-ethyl-2-methylaniline
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Frequently Asked Questions

What is the IUPAC name of (3R)-N-[(1-cyclopropyltetrazol-5-yl)methyl]-1,3-dimethyl-3,5-dihydro-2H-1,4-benzodiazepine-4-carboxamide?
The IUPAC name of (3R)-N-[(1-cyclopropyltetrazol-5-yl)methyl]-1,3-dimethyl-3,5-dihydro-2H-1,4-benzodiazepine-4-carboxamide (CID 96995558) is (3R)-N-[(1-cyclopropyltetrazol-5-yl)methyl]-1,3-dimethyl-3,5-dihydro-2H-1,4-benzodiazepine-4-carboxamide.
What is the SMILES notation for (3R)-N-[(1-cyclopropyltetrazol-5-yl)methyl]-1,3-dimethyl-3,5-dihydro-2H-1,4-benzodiazepine-4-carboxamide?
The canonical SMILES for (3R)-N-[(1-cyclopropyltetrazol-5-yl)methyl]-1,3-dimethyl-3,5-dihydro-2H-1,4-benzodiazepine-4-carboxamide is C[C@@H]1CN(C)c2ccccc2CN1C(=O)NCc1nnnn1C1CC1.
What is the InChIKey of (3R)-N-[(1-cyclopropyltetrazol-5-yl)methyl]-1,3-dimethyl-3,5-dihydro-2H-1,4-benzodiazepine-4-carboxamide?
The InChIKey is YTBRVCZKKYZJGP-GFCCVEGCSA-N. The full InChI is InChI=1S/C17H23N7O/c1-12-10-22(2)15-6-4-3-5-13(15)11-23(12)17(25)18-9-16-19-20-21-24(16)14-7-8-14/h3-6,12,14H,7-11H2,1-2H3,(H,18,25)/t12-/m1/s1.
What are the key properties of (3R)-N-[(1-cyclopropyltetrazol-5-yl)methyl]-1,3-dimethyl-3,5-dihydro-2H-1,4-benzodiazepine-4-carboxamide?
(3R)-N-[(1-cyclopropyltetrazol-5-yl)methyl]-1,3-dimethyl-3,5-dihydro-2H-1,4-benzodiazepine-4-carboxamide has a molecular weight of 341.42 g/mol, XLogP of 1.56, 3 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (3R)-N-[(1-cyclopropyltetrazol-5-yl)methyl]-1,3-dimethyl-3,5-dihydro-2H-1,4-benzodiazepine-4-carboxamide is sourced from PubChem (CID 96995558), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).