10-methyl-6,8-diazatricyclo[5.4.0.02,5]undeca-1(7),8,10-triene

C10H12N2 — CID 123904978

IUPAC10-methyl-6,8-diazatricyclo[5.4.0.02,5]undeca-1(7),8,10-triene
SMILESCc1cnc2c(c1)C1CCC1N2
InChIInChI=1S/C10H12N2/c1-6-4-8-7-2-3-9(7)12-10(8)11-5-6/h4-5,7,9H,2-3H2,1H3,(H,11,12)
InChIKeyVLKAUMMRUXHUAO-UHFFFAOYSA-N
MW160.22 g/mol
LogP2.06
Rot. Bonds

About 10-methyl-6,8-diazatricyclo[5.4.0.02,5]undeca-1(7),8,10-triene

10-methyl-6,8-diazatricyclo[5.4.0.02,5]undeca-1(7),8,10-triene (PubChem CID 123904978) has the molecular formula C10H12N2 and a molecular weight of 160.22 g/mol. Its IUPAC name is 10-methyl-6,8-diazatricyclo[5.4.0.02,5]undeca-1(7),8,10-triene.

Molecular Properties

Compound Name10-methyl-6,8-diazatricyclo[5.4.0.02,5]undeca-1(7),8,10-triene
PubChem CID123904978
Molecular FormulaC10H12N2
Molecular Weight160.22 g/mol
Exact Mass160.10
IUPAC Name10-methyl-6,8-diazatricyclo[5.4.0.02,5]undeca-1(7),8,10-triene
SMILESCc1cnc2c(c1)C1CCC1N2
InChIInChI=1S/C10H12N2/c1-6-4-8-7-2-3-9(7)12-10(8)11-5-6/h4-5,7,9H,2-3H2,1H3,(H,11,12)
InChIKeyVLKAUMMRUXHUAO-UHFFFAOYSA-N
XLogP2.06
TPSA24.92 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500160.22
LogP ≤ 52.06
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

9-methyl-5,7-diazatricyclo[4.4.0.02,4]deca-1(6),7,9-triene
CID 123526388
9-propyl-5,7-diazatricyclo[4.4.0.02,4]deca-1(6),7,9-triene
CID 143712062
2-chloro-3-cyclopropyl-5-methylpyridine
CID 130050341
5-methyl-3-[(2S)-pyrrolidin-2-yl]pyridin-2-amine
CID 55274526
2,5-dimethyl-3-[(2R)-2-methylcyclohexyl]pyridine
CID 58667168
5-methyl-3-[(2S)-piperazin-2-yl]pyridin-2-amine
CID 55273528
ethane;5-methyl-2-methylidene-1,3-dihydropyrrolo[2,3-b]pyridine
CID 172632266
3-(3-aminocyclopentyl)-5-methylpyridin-2-amine
CID 64505769
3-(3-chlorocyclopentyl)-5-methylpyridin-2-amine
CID 64515650
7-methyl-1,2,3,3a,4,8b-hexahydrocyclopenta[b]indole
CID 84654717
(4aR,9aR)-6-methyl-2,3,4,4a,9,9a-hexahydro-1H-carbazole
CID 7007370
(5S,8R)-5-fluoro-3,8-dimethyl-5,6,7,8-tetrahydroquinoline
CID 170296346

Frequently Asked Questions

What is the IUPAC name of 10-methyl-6,8-diazatricyclo[5.4.0.02,5]undeca-1(7),8,10-triene?
The IUPAC name of 10-methyl-6,8-diazatricyclo[5.4.0.02,5]undeca-1(7),8,10-triene (CID 123904978) is 10-methyl-6,8-diazatricyclo[5.4.0.02,5]undeca-1(7),8,10-triene.
What is the SMILES notation for 10-methyl-6,8-diazatricyclo[5.4.0.02,5]undeca-1(7),8,10-triene?
The canonical SMILES for 10-methyl-6,8-diazatricyclo[5.4.0.02,5]undeca-1(7),8,10-triene is Cc1cnc2c(c1)C1CCC1N2.
What is the InChIKey of 10-methyl-6,8-diazatricyclo[5.4.0.02,5]undeca-1(7),8,10-triene?
The InChIKey is VLKAUMMRUXHUAO-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H12N2/c1-6-4-8-7-2-3-9(7)12-10(8)11-5-6/h4-5,7,9H,2-3H2,1H3,(H,11,12).
What are the key properties of 10-methyl-6,8-diazatricyclo[5.4.0.02,5]undeca-1(7),8,10-triene?
10-methyl-6,8-diazatricyclo[5.4.0.02,5]undeca-1(7),8,10-triene has a molecular weight of 160.22 g/mol, XLogP of 2.06, 0 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 10-methyl-6,8-diazatricyclo[5.4.0.02,5]undeca-1(7),8,10-triene is sourced from PubChem (CID 123904978), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).