3,5,7-trimethyl-4,6,8,10,12-pentazatricyclo[7.4.0.02,6]trideca-1(13),2,4,9,11-pentaene

C11H13N5 — CID 91824492

IUPAC3,5,7-trimethyl-4,6,8,10,12-pentazatricyclo[7.4.0.02,6]trideca-1(13),2,4,9,11-pentaene
SMILESCc1nc(C)n2c1-c1cncnc1NC2C
InChIInChI=1S/C11H13N5/c1-6-10-9-4-12-5-13-11(9)15-8(3)16(10)7(2)14-6/h4-5,8H,1-3H3,(H,12,13,15)
InChIKeyFVBKALBHIGURRZ-UHFFFAOYSA-N
MW215.26 g/mol
LogP1.90
Rot. Bonds

About 3,5,7-trimethyl-4,6,8,10,12-pentazatricyclo[7.4.0.02,6]trideca-1(13),2,4,9,11-pentaene

3,5,7-trimethyl-4,6,8,10,12-pentazatricyclo[7.4.0.02,6]trideca-1(13),2,4,9,11-pentaene (PubChem CID 91824492) has the molecular formula C11H13N5 and a molecular weight of 215.26 g/mol. Its IUPAC name is 3,5,7-trimethyl-4,6,8,10,12-pentazatricyclo[7.4.0.02,6]trideca-1(13),2,4,9,11-pentaene.

Molecular Properties

Compound Name3,5,7-trimethyl-4,6,8,10,12-pentazatricyclo[7.4.0.02,6]trideca-1(13),2,4,9,11-pentaene
PubChem CID91824492
Molecular FormulaC11H13N5
Molecular Weight215.26 g/mol
Exact Mass215.12
IUPAC Name3,5,7-trimethyl-4,6,8,10,12-pentazatricyclo[7.4.0.02,6]trideca-1(13),2,4,9,11-pentaene
SMILESCc1nc(C)n2c1-c1cncnc1NC2C
InChIInChI=1S/C11H13N5/c1-6-10-9-4-12-5-13-11(9)15-8(3)16(10)7(2)14-6/h4-5,8H,1-3H3,(H,12,13,15)
InChIKeyFVBKALBHIGURRZ-UHFFFAOYSA-N
XLogP1.90
TPSA55.63 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500215.26
LogP ≤ 51.90
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

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CID 71429070
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CID 67777070
8-methyl-9-(oxan-2-yl)purine
CID 133062486
2-methyl-2,3-dihydropyrimido[5,4-e][1,3]oxazin-4-one
CID 175727554
[2-(4-methylpyrimidin-5-yl)-1H-imidazol-5-yl]methanol
CID 130987334
4,5-dimethylpyrimidine;hydrochloride
CID 126810746
5-(4-cyclopropylpiperidin-1-yl)-4-methylpyrimidine
CID 176552549
5-(1-methylimidazol-2-yl)-4-piperidin-4-ylpyrimidine
CID 53415039
3,5,11,13-tetrazatricyclo[7.4.0.02,7]trideca-1(13),2,4,6,9,11-hexaen-8-one
CID 142739996
pyrimido[4,5-g]quinazoline-5,10-dione
CID 151510286
4-[8-chloro-9-(cyclopropylmethyl)-2-(4-methylpyrimidin-5-yl)purin-6-yl]morpholine
CID 141266183
9-chloro-8-methylpurine
CID 174882940

Frequently Asked Questions

What is the IUPAC name of 3,5,7-trimethyl-4,6,8,10,12-pentazatricyclo[7.4.0.02,6]trideca-1(13),2,4,9,11-pentaene?
The IUPAC name of 3,5,7-trimethyl-4,6,8,10,12-pentazatricyclo[7.4.0.02,6]trideca-1(13),2,4,9,11-pentaene (CID 91824492) is 3,5,7-trimethyl-4,6,8,10,12-pentazatricyclo[7.4.0.02,6]trideca-1(13),2,4,9,11-pentaene.
What is the SMILES notation for 3,5,7-trimethyl-4,6,8,10,12-pentazatricyclo[7.4.0.02,6]trideca-1(13),2,4,9,11-pentaene?
The canonical SMILES for 3,5,7-trimethyl-4,6,8,10,12-pentazatricyclo[7.4.0.02,6]trideca-1(13),2,4,9,11-pentaene is Cc1nc(C)n2c1-c1cncnc1NC2C.
What is the InChIKey of 3,5,7-trimethyl-4,6,8,10,12-pentazatricyclo[7.4.0.02,6]trideca-1(13),2,4,9,11-pentaene?
The InChIKey is FVBKALBHIGURRZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H13N5/c1-6-10-9-4-12-5-13-11(9)15-8(3)16(10)7(2)14-6/h4-5,8H,1-3H3,(H,12,13,15).
What are the key properties of 3,5,7-trimethyl-4,6,8,10,12-pentazatricyclo[7.4.0.02,6]trideca-1(13),2,4,9,11-pentaene?
3,5,7-trimethyl-4,6,8,10,12-pentazatricyclo[7.4.0.02,6]trideca-1(13),2,4,9,11-pentaene has a molecular weight of 215.26 g/mol, XLogP of 1.90, 0 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3,5,7-trimethyl-4,6,8,10,12-pentazatricyclo[7.4.0.02,6]trideca-1(13),2,4,9,11-pentaene is sourced from PubChem (CID 91824492), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).