2,5-dimethyl-1,3-diazacyclohepta-2,4,6,7-tetraene

C7H8N2 — CID 123929868

IUPAC2,5-dimethyl-1,3-diazacyclohepta-2,4,6,7-tetraene
SMILESCC1=CN=C(C)N=C=C1
InChIInChI=1S/C7H8N2/c1-6-3-4-8-7(2)9-5-6/h3,5H,1-2H3
InChIKeyNAYPODILKIUIKT-UHFFFAOYSA-N
MW120.15 g/mol
LogP1.55
Rot. Bonds

About 2,5-dimethyl-1,3-diazacyclohepta-2,4,6,7-tetraene

2,5-dimethyl-1,3-diazacyclohepta-2,4,6,7-tetraene (PubChem CID 123929868) has the molecular formula C7H8N2 and a molecular weight of 120.15 g/mol. Its IUPAC name is 2,5-dimethyl-1,3-diazacyclohepta-2,4,6,7-tetraene.

Molecular Properties

Compound Name2,5-dimethyl-1,3-diazacyclohepta-2,4,6,7-tetraene
PubChem CID123929868
Molecular FormulaC7H8N2
Molecular Weight120.15 g/mol
Exact Mass120.07
IUPAC Name2,5-dimethyl-1,3-diazacyclohepta-2,4,6,7-tetraene
SMILESCC1=CN=C(C)N=C=C1
InChIInChI=1S/C7H8N2/c1-6-3-4-8-7(2)9-5-6/h3,5H,1-2H3
InChIKeyNAYPODILKIUIKT-UHFFFAOYSA-N
XLogP1.55
TPSA24.72 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500120.15
LogP ≤ 51.55
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

N'-[(1Z)-2-methylbuta-1,3-dienyl]ethanimidamide
CID 88917570
N'-[(1Z)-3-methylbuta-1,3-dienyl]ethanimidamide
CID 89989589
N'-[(Z)-2-methylbut-1-enyl]ethanimidamide
CID 117660662
6-methyl-5H-1,3-diazepine
CID 123768170
2-Iodo-5-methyl-1,3-diazacyclohepta-2,4,6,7-tetraene
CID 126539981
2-Methyl-5-methylidene-1,3-diazepine
CID 126580929
5-Methyl-1,3-diazacyclohepta-2,4,6,7-tetraene
CID 126590930
2,5-Diethyl-1,3-diazacyclohepta-2,4,6,7-tetraene
CID 126694318
5-Ethyl-1,3-diazacyclohepta-2,4,6,7-tetraene
CID 138630854
N'-methyl-N-(3-methylbuta-1,3-dienylidene)propanimidamide
CID 138643577
2,6-dimethyl-5H-1,3-diazepine
CID 138718213
N-ethylidene-N'-[(1Z)-2-methylbuta-1,3-dienyl]methanimidamide
CID 138725760

Frequently Asked Questions

What is the IUPAC name of 2,5-dimethyl-1,3-diazacyclohepta-2,4,6,7-tetraene?
The IUPAC name of 2,5-dimethyl-1,3-diazacyclohepta-2,4,6,7-tetraene (CID 123929868) is 2,5-dimethyl-1,3-diazacyclohepta-2,4,6,7-tetraene.
What is the SMILES notation for 2,5-dimethyl-1,3-diazacyclohepta-2,4,6,7-tetraene?
The canonical SMILES for 2,5-dimethyl-1,3-diazacyclohepta-2,4,6,7-tetraene is CC1=CN=C(C)N=C=C1.
What is the InChIKey of 2,5-dimethyl-1,3-diazacyclohepta-2,4,6,7-tetraene?
The InChIKey is NAYPODILKIUIKT-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H8N2/c1-6-3-4-8-7(2)9-5-6/h3,5H,1-2H3.
What are the key properties of 2,5-dimethyl-1,3-diazacyclohepta-2,4,6,7-tetraene?
2,5-dimethyl-1,3-diazacyclohepta-2,4,6,7-tetraene has a molecular weight of 120.15 g/mol, XLogP of 1.55, 0 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2,5-dimethyl-1,3-diazacyclohepta-2,4,6,7-tetraene is sourced from PubChem (CID 123929868), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).