5-ethyl-6-propan-2-yl-1,4-diazacyclohepta-1,2,4,6-tetraene

C10H14N2 — CID 130250112

IUPAC5-ethyl-6-propan-2-yl-1,4-diazacyclohepta-1,2,4,6-tetraene
SMILESCCC1=NC=C=NC=C1C(C)C
InChIInChI=1S/C10H14N2/c1-4-10-9(8(2)3)7-11-5-6-12-10/h6-8H,4H2,1-3H3
InChIKeyLKXGNQKXZXEORB-UHFFFAOYSA-N
MW162.24 g/mol
LogP2.57
Rot. Bonds2

About 5-ethyl-6-propan-2-yl-1,4-diazacyclohepta-1,2,4,6-tetraene

5-ethyl-6-propan-2-yl-1,4-diazacyclohepta-1,2,4,6-tetraene (PubChem CID 130250112) has the molecular formula C10H14N2 and a molecular weight of 162.24 g/mol. Its IUPAC name is 5-ethyl-6-propan-2-yl-1,4-diazacyclohepta-1,2,4,6-tetraene.

Molecular Properties

Compound Name5-ethyl-6-propan-2-yl-1,4-diazacyclohepta-1,2,4,6-tetraene
PubChem CID130250112
Molecular FormulaC10H14N2
Molecular Weight162.24 g/mol
Exact Mass162.12
IUPAC Name5-ethyl-6-propan-2-yl-1,4-diazacyclohepta-1,2,4,6-tetraene
SMILESCCC1=NC=C=NC=C1C(C)C
InChIInChI=1S/C10H14N2/c1-4-10-9(8(2)3)7-11-5-6-12-10/h6-8H,4H2,1-3H3
InChIKeyLKXGNQKXZXEORB-UHFFFAOYSA-N
XLogP2.57
TPSA24.72 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500162.24
LogP ≤ 52.57
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Analyze 5-ethyl-6-propan-2-yl-1,4-diazacyclohepta-1,2,4,6-tetraene 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 5-ethyl-6-propan-2-yl-1,4-diazacyclohepta-1,2,4,6-tetraene?
The IUPAC name of 5-ethyl-6-propan-2-yl-1,4-diazacyclohepta-1,2,4,6-tetraene (CID 130250112) is 5-ethyl-6-propan-2-yl-1,4-diazacyclohepta-1,2,4,6-tetraene.
What is the SMILES notation for 5-ethyl-6-propan-2-yl-1,4-diazacyclohepta-1,2,4,6-tetraene?
The canonical SMILES for 5-ethyl-6-propan-2-yl-1,4-diazacyclohepta-1,2,4,6-tetraene is CCC1=NC=C=NC=C1C(C)C.
What is the InChIKey of 5-ethyl-6-propan-2-yl-1,4-diazacyclohepta-1,2,4,6-tetraene?
The InChIKey is LKXGNQKXZXEORB-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H14N2/c1-4-10-9(8(2)3)7-11-5-6-12-10/h6-8H,4H2,1-3H3.
What are the key properties of 5-ethyl-6-propan-2-yl-1,4-diazacyclohepta-1,2,4,6-tetraene?
5-ethyl-6-propan-2-yl-1,4-diazacyclohepta-1,2,4,6-tetraene has a molecular weight of 162.24 g/mol, XLogP of 2.57, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-ethyl-6-propan-2-yl-1,4-diazacyclohepta-1,2,4,6-tetraene is sourced from PubChem (CID 130250112), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).