1-cyclopropyl-2,3,4,5-tetrahydropyrido[4,3-e][1,4]diazepine

C11H15N3 — CID 105443837

IUPAC1-cyclopropyl-2,3,4,5-tetrahydropyrido[4,3-e][1,4]diazepine
SMILESc1cc2c(cn1)CNCCN2C1CC1
InChIInChI=1S/C11H15N3/c1-2-10(1)14-6-5-13-8-9-7-12-4-3-11(9)14/h3-4,7,10,13H,1-2,5-6,8H2
InChIKeyUQZZIERSNCPHLQ-UHFFFAOYSA-N
MW189.26 g/mol
LogP1.15
Rot. Bonds1

About 1-cyclopropyl-2,3,4,5-tetrahydropyrido[4,3-e][1,4]diazepine

1-cyclopropyl-2,3,4,5-tetrahydropyrido[4,3-e][1,4]diazepine (PubChem CID 105443837) has the molecular formula C11H15N3 and a molecular weight of 189.26 g/mol. Its IUPAC name is 1-cyclopropyl-2,3,4,5-tetrahydropyrido[4,3-e][1,4]diazepine.

Molecular Properties

Compound Name1-cyclopropyl-2,3,4,5-tetrahydropyrido[4,3-e][1,4]diazepine
PubChem CID105443837
Molecular FormulaC11H15N3
Molecular Weight189.26 g/mol
Exact Mass189.13
IUPAC Name1-cyclopropyl-2,3,4,5-tetrahydropyrido[4,3-e][1,4]diazepine
SMILESc1cc2c(cn1)CNCCN2C1CC1
InChIInChI=1S/C11H15N3/c1-2-10(1)14-6-5-13-8-9-7-12-4-3-11(9)14/h3-4,7,10,13H,1-2,5-6,8H2
InChIKeyUQZZIERSNCPHLQ-UHFFFAOYSA-N
XLogP1.15
TPSA28.16 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500189.26
LogP ≤ 51.15
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2,3,4,4a,5,6-hexahydro-1H-pyrazino[1,2-a][1,6]naphthyridine
CID 134265703
1-(4-propylcyclohexyl)-2,3,4,5-tetrahydro-1,4-benzodiazepine
CID 63552975
7-bromo-1-cyclopentyl-2,3,4,5-tetrahydro-1,4-benzodiazepine
CID 82251450
8-oxa-1,5,12-triazatricyclo[8.4.0.02,7]tetradeca-2(7),3,5-triene
CID 129276152
1-cyclopropyl-3,5-dihydro-2H-pyrido[3,4-b][1,4]diazepin-4-one
CID 79291644
1-(3,3,5,5-tetramethylcyclohexyl)-2,3,4,5-tetrahydro-1,4-benzodiazepine
CID 115999280
1-cyclopropyl-9-methoxy-2,3,4,5-tetrahydro-1,4-benzodiazepine
CID 115030830
1-pyrazin-2-yl-2,3,4,5-tetrahydro-1,4-benzodiazepine
CID 63100951
1-(1,5-dimethylpyrrolidin-3-yl)-2,3,4,5-tetrahydro-1,4-benzodiazepine
CID 81467717
(6S)-2,8,12-triazatricyclo[7.4.0.02,6]trideca-1(9),10,12-triene
CID 82411081
(3-fluoro-4-pyridinyl)-(2,3,4,5-tetrahydro-1,4-benzodiazepin-1-yl)methanone
CID 64951302
1-(3-methyl-4-pyridinyl)piperazine;dihydrochloride
CID 154825583

Frequently Asked Questions

What is the IUPAC name of 1-cyclopropyl-2,3,4,5-tetrahydropyrido[4,3-e][1,4]diazepine?
The IUPAC name of 1-cyclopropyl-2,3,4,5-tetrahydropyrido[4,3-e][1,4]diazepine (CID 105443837) is 1-cyclopropyl-2,3,4,5-tetrahydropyrido[4,3-e][1,4]diazepine.
What is the SMILES notation for 1-cyclopropyl-2,3,4,5-tetrahydropyrido[4,3-e][1,4]diazepine?
The canonical SMILES for 1-cyclopropyl-2,3,4,5-tetrahydropyrido[4,3-e][1,4]diazepine is c1cc2c(cn1)CNCCN2C1CC1.
What is the InChIKey of 1-cyclopropyl-2,3,4,5-tetrahydropyrido[4,3-e][1,4]diazepine?
The InChIKey is UQZZIERSNCPHLQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H15N3/c1-2-10(1)14-6-5-13-8-9-7-12-4-3-11(9)14/h3-4,7,10,13H,1-2,5-6,8H2.
What are the key properties of 1-cyclopropyl-2,3,4,5-tetrahydropyrido[4,3-e][1,4]diazepine?
1-cyclopropyl-2,3,4,5-tetrahydropyrido[4,3-e][1,4]diazepine has a molecular weight of 189.26 g/mol, XLogP of 1.15, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-cyclopropyl-2,3,4,5-tetrahydropyrido[4,3-e][1,4]diazepine is sourced from PubChem (CID 105443837), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).