10-methyl-3,5,6,7,8,10,12-heptazatricyclo[7.3.0.02,6]dodeca-1(9),2,4,7,11-pentaene

C6H5N7 — CID 86177077

IUPAC10-methyl-3,5,6,7,8,10,12-heptazatricyclo[7.3.0.02,6]dodeca-1(9),2,4,7,11-pentaene
SMILESCn1cnc2c1nnn1ncnc21
InChIInChI=1S/C6H5N7/c1-12-3-8-4-5-7-2-9-13(5)11-10-6(4)12/h2-3H,1H3
InChIKeyKUAAMSHWDLHAGL-UHFFFAOYSA-N
MW175.16 g/mol
LogP-0.59
Rot. Bonds

About 10-methyl-3,5,6,7,8,10,12-heptazatricyclo[7.3.0.02,6]dodeca-1(9),2,4,7,11-pentaene

10-methyl-3,5,6,7,8,10,12-heptazatricyclo[7.3.0.02,6]dodeca-1(9),2,4,7,11-pentaene (PubChem CID 86177077) has the molecular formula C6H5N7 and a molecular weight of 175.16 g/mol. Its IUPAC name is 10-methyl-3,5,6,7,8,10,12-heptazatricyclo[7.3.0.02,6]dodeca-1(9),2,4,7,11-pentaene.

Molecular Properties

Compound Name10-methyl-3,5,6,7,8,10,12-heptazatricyclo[7.3.0.02,6]dodeca-1(9),2,4,7,11-pentaene
PubChem CID86177077
Molecular FormulaC6H5N7
Molecular Weight175.16 g/mol
Exact Mass175.06
IUPAC Name10-methyl-3,5,6,7,8,10,12-heptazatricyclo[7.3.0.02,6]dodeca-1(9),2,4,7,11-pentaene
SMILESCn1cnc2c1nnn1ncnc21
InChIInChI=1S/C6H5N7/c1-12-3-8-4-5-7-2-9-13(5)11-10-6(4)12/h2-3H,1H3
InChIKeyKUAAMSHWDLHAGL-UHFFFAOYSA-N
XLogP-0.59
TPSA73.79 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500175.16
LogP ≤ 5-0.59
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

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Related Compounds

3H-1,2,3-Triazolo(4,5-d)pyrimidin-7-amine
CID 70746
7-Methyladenine
CID 71593
9-Methyladenine
CID 69689
N,N,9-Trimethyl-9H-purin-6-amine
CID 221105
9-Methyl-9H-purine-2,6-diamine
CID 22949012
3-Methyl-7-(methylamino)-3H-v-triazolo(4,5-d)pyrimidine
CID 95868
8-Aza-9-methyladenine
CID 95867
7-Chloro-3-methyl-3H-1,2,3-triazolo(4,5-d)pyrimidine
CID 6852050
6-Amino-3,9-dimethyl-9H-purin-3-ium
CID 447936
3-methyl-7-piperidin-1-yl-3H-[1,2,3]triazolo[4,5-d]pyrimidine
CID 7424081
9-Hexyl-6-(1,2,4-triazol-1-yl)purine
CID 118709411
9-Heptyl-6-(1,2,4-triazol-1-yl)purine
CID 118709412

Frequently Asked Questions

What is the IUPAC name of 10-methyl-3,5,6,7,8,10,12-heptazatricyclo[7.3.0.02,6]dodeca-1(9),2,4,7,11-pentaene?
The IUPAC name of 10-methyl-3,5,6,7,8,10,12-heptazatricyclo[7.3.0.02,6]dodeca-1(9),2,4,7,11-pentaene (CID 86177077) is 10-methyl-3,5,6,7,8,10,12-heptazatricyclo[7.3.0.02,6]dodeca-1(9),2,4,7,11-pentaene.
What is the SMILES notation for 10-methyl-3,5,6,7,8,10,12-heptazatricyclo[7.3.0.02,6]dodeca-1(9),2,4,7,11-pentaene?
The canonical SMILES for 10-methyl-3,5,6,7,8,10,12-heptazatricyclo[7.3.0.02,6]dodeca-1(9),2,4,7,11-pentaene is Cn1cnc2c1nnn1ncnc21.
What is the InChIKey of 10-methyl-3,5,6,7,8,10,12-heptazatricyclo[7.3.0.02,6]dodeca-1(9),2,4,7,11-pentaene?
The InChIKey is KUAAMSHWDLHAGL-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H5N7/c1-12-3-8-4-5-7-2-9-13(5)11-10-6(4)12/h2-3H,1H3.
What are the key properties of 10-methyl-3,5,6,7,8,10,12-heptazatricyclo[7.3.0.02,6]dodeca-1(9),2,4,7,11-pentaene?
10-methyl-3,5,6,7,8,10,12-heptazatricyclo[7.3.0.02,6]dodeca-1(9),2,4,7,11-pentaene has a molecular weight of 175.16 g/mol, XLogP of -0.59, 0 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 10-methyl-3,5,6,7,8,10,12-heptazatricyclo[7.3.0.02,6]dodeca-1(9),2,4,7,11-pentaene is sourced from PubChem (CID 86177077), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).