6-methyl-1-azacyclohepta-1,2,4,6-tetraen-4-amine

C7H8N2 — CID 123856718

IUPAC6-methyl-1-azacyclohepta-1,2,4,6-tetraen-4-amine
SMILESCC1=CN=C=CC(N)=C1
InChIInChI=1S/C7H8N2/c1-6-4-7(8)2-3-9-5-6/h2,4-5H,8H2,1H3
InChIKeyYFDZTVKCMVBMEJ-UHFFFAOYSA-N
MW120.15 g/mol
LogP0.97
Rot. Bonds

About 6-methyl-1-azacyclohepta-1,2,4,6-tetraen-4-amine

6-methyl-1-azacyclohepta-1,2,4,6-tetraen-4-amine (PubChem CID 123856718) has the molecular formula C7H8N2 and a molecular weight of 120.15 g/mol. Its IUPAC name is 6-methyl-1-azacyclohepta-1,2,4,6-tetraen-4-amine.

Molecular Properties

Compound Name6-methyl-1-azacyclohepta-1,2,4,6-tetraen-4-amine
PubChem CID123856718
Molecular FormulaC7H8N2
Molecular Weight120.15 g/mol
Exact Mass120.07
IUPAC Name6-methyl-1-azacyclohepta-1,2,4,6-tetraen-4-amine
SMILESCC1=CN=C=CC(N)=C1
InChIInChI=1S/C7H8N2/c1-6-4-7(8)2-3-9-5-6/h2,4-5H,8H2,1H3
InChIKeyYFDZTVKCMVBMEJ-UHFFFAOYSA-N
XLogP0.97
TPSA38.38 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500120.15
LogP ≤ 50.97
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

6-Fluoro-6-methylazepin-3-amine
CID 178157545
CID 139246424
CID 139246424
3-Methylazepin-3-amine
CID 123242780
(5Z,6E)-6-ethylidene-5-propylidenepyridin-3-amine
CID 126636008
(2Z,4E)-3-methyl-5-(methylideneamino)penta-2,4-diene-1,4-diamine
CID 129194053
3-Methyl-1-azacyclohepta-2,4,6,7-tetraen-4-amine
CID 135303675
3,5,7-Trimethylazepin-3-amine
CID 139360520
(2Z,4Z)-5-(ethylideneamino)-4-methylpenta-2,4-dien-2-amine
CID 139395167
3,5-Dimethylazepin-3-amine
CID 141929193
(2E,4Z)-6-methyl-5-[(Z)-2-(methylideneamino)ethenyl]hepta-2,4,6-trien-3-amine
CID 142446949
(3Z)-5-methyl-4-(methylideneamino)hexa-1,3,5-trien-2-amine
CID 142847028
3-methyl-3H-azepin-6-amine
CID 143819259

Frequently Asked Questions

What is the IUPAC name of 6-methyl-1-azacyclohepta-1,2,4,6-tetraen-4-amine?
The IUPAC name of 6-methyl-1-azacyclohepta-1,2,4,6-tetraen-4-amine (CID 123856718) is 6-methyl-1-azacyclohepta-1,2,4,6-tetraen-4-amine.
What is the SMILES notation for 6-methyl-1-azacyclohepta-1,2,4,6-tetraen-4-amine?
The canonical SMILES for 6-methyl-1-azacyclohepta-1,2,4,6-tetraen-4-amine is CC1=CN=C=CC(N)=C1.
What is the InChIKey of 6-methyl-1-azacyclohepta-1,2,4,6-tetraen-4-amine?
The InChIKey is YFDZTVKCMVBMEJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H8N2/c1-6-4-7(8)2-3-9-5-6/h2,4-5H,8H2,1H3.
What are the key properties of 6-methyl-1-azacyclohepta-1,2,4,6-tetraen-4-amine?
6-methyl-1-azacyclohepta-1,2,4,6-tetraen-4-amine has a molecular weight of 120.15 g/mol, XLogP of 0.97, 0 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 6-methyl-1-azacyclohepta-1,2,4,6-tetraen-4-amine is sourced from PubChem (CID 123856718), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).