7-ethenyl-1-methyl-6-[(Z)-prop-1-enyl]-5,8-dihydro-4H-pyrazolo[5,4-e][1,4]diazepine

C12H16N4 — CID 143188644

IUPAC7-ethenyl-1-methyl-6-[(Z)-prop-1-enyl]-5,8-dihydro-4H-pyrazolo[5,4-e][1,4]diazepine
SMILESC=CC1=C(/C=C\C)NCc2cnn(C)c2N1
InChIInChI=1S/C12H16N4/c1-4-6-11-10(5-2)15-12-9(7-13-11)8-14-16(12)3/h4-6,8,13,15H,2,7H2,1,3H3/b6-4-
InChIKeyGAFYEZCIDKMGQL-XQRVVYSFSA-N
MW216.29 g/mol
LogP1.91
Rot. Bonds2

About 7-ethenyl-1-methyl-6-[(Z)-prop-1-enyl]-5,8-dihydro-4H-pyrazolo[5,4-e][1,4]diazepine

7-ethenyl-1-methyl-6-[(Z)-prop-1-enyl]-5,8-dihydro-4H-pyrazolo[5,4-e][1,4]diazepine (PubChem CID 143188644) has the molecular formula C12H16N4 and a molecular weight of 216.29 g/mol. Its IUPAC name is 7-ethenyl-1-methyl-6-[(Z)-prop-1-enyl]-5,8-dihydro-4H-pyrazolo[5,4-e][1,4]diazepine.

Molecular Properties

Compound Name7-ethenyl-1-methyl-6-[(Z)-prop-1-enyl]-5,8-dihydro-4H-pyrazolo[5,4-e][1,4]diazepine
PubChem CID143188644
Molecular FormulaC12H16N4
Molecular Weight216.29 g/mol
Exact Mass216.14
IUPAC Name7-ethenyl-1-methyl-6-[(Z)-prop-1-enyl]-5,8-dihydro-4H-pyrazolo[5,4-e][1,4]diazepine
SMILESC=CC1=C(/C=C\C)NCc2cnn(C)c2N1
InChIInChI=1S/C12H16N4/c1-4-6-11-10(5-2)15-12-9(7-13-11)8-14-16(12)3/h4-6,8,13,15H,2,7H2,1,3H3/b6-4-
InChIKeyGAFYEZCIDKMGQL-XQRVVYSFSA-N
XLogP1.91
TPSA41.88 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500216.29
LogP ≤ 51.91
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze 7-ethenyl-1-methyl-6-[(Z)-prop-1-enyl]-5,8-dihydro-4H-pyrazolo[5,4-e][1,4]diazepine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 7-ethenyl-1-methyl-6-[(Z)-prop-1-enyl]-5,8-dihydro-4H-pyrazolo[5,4-e][1,4]diazepine?
The IUPAC name of 7-ethenyl-1-methyl-6-[(Z)-prop-1-enyl]-5,8-dihydro-4H-pyrazolo[5,4-e][1,4]diazepine (CID 143188644) is 7-ethenyl-1-methyl-6-[(Z)-prop-1-enyl]-5,8-dihydro-4H-pyrazolo[5,4-e][1,4]diazepine.
What is the SMILES notation for 7-ethenyl-1-methyl-6-[(Z)-prop-1-enyl]-5,8-dihydro-4H-pyrazolo[5,4-e][1,4]diazepine?
The canonical SMILES for 7-ethenyl-1-methyl-6-[(Z)-prop-1-enyl]-5,8-dihydro-4H-pyrazolo[5,4-e][1,4]diazepine is C=CC1=C(/C=C\C)NCc2cnn(C)c2N1.
What is the InChIKey of 7-ethenyl-1-methyl-6-[(Z)-prop-1-enyl]-5,8-dihydro-4H-pyrazolo[5,4-e][1,4]diazepine?
The InChIKey is GAFYEZCIDKMGQL-XQRVVYSFSA-N. The full InChI is InChI=1S/C12H16N4/c1-4-6-11-10(5-2)15-12-9(7-13-11)8-14-16(12)3/h4-6,8,13,15H,2,7H2,1,3H3/b6-4-.
What are the key properties of 7-ethenyl-1-methyl-6-[(Z)-prop-1-enyl]-5,8-dihydro-4H-pyrazolo[5,4-e][1,4]diazepine?
7-ethenyl-1-methyl-6-[(Z)-prop-1-enyl]-5,8-dihydro-4H-pyrazolo[5,4-e][1,4]diazepine has a molecular weight of 216.29 g/mol, XLogP of 1.91, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 7-ethenyl-1-methyl-6-[(Z)-prop-1-enyl]-5,8-dihydro-4H-pyrazolo[5,4-e][1,4]diazepine is sourced from PubChem (CID 143188644), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).