15-methyl-3,6,9,15-tetrazatetracyclo[10.2.1.02,10.03,8]pentadeca-2(10),4,6,8-tetraene

C12H14N4 — CID 104573601

IUPAC15-methyl-3,6,9,15-tetrazatetracyclo[10.2.1.02,10.03,8]pentadeca-2(10),4,6,8-tetraene
SMILESCN1C2CCC1c1c(nc3cnccn13)C2
InChIInChI=1S/C12H14N4/c1-15-8-2-3-10(15)12-9(6-8)14-11-7-13-4-5-16(11)12/h4-5,7-8,10H,2-3,6H2,1H3
InChIKeyXJPUUCFOVHDJBU-UHFFFAOYSA-N
MW214.27 g/mol
LogP1.42
Rot. Bonds

About 15-methyl-3,6,9,15-tetrazatetracyclo[10.2.1.02,10.03,8]pentadeca-2(10),4,6,8-tetraene

15-methyl-3,6,9,15-tetrazatetracyclo[10.2.1.02,10.03,8]pentadeca-2(10),4,6,8-tetraene (PubChem CID 104573601) has the molecular formula C12H14N4 and a molecular weight of 214.27 g/mol. Its IUPAC name is 15-methyl-3,6,9,15-tetrazatetracyclo[10.2.1.02,10.03,8]pentadeca-2(10),4,6,8-tetraene.

Molecular Properties

Compound Name15-methyl-3,6,9,15-tetrazatetracyclo[10.2.1.02,10.03,8]pentadeca-2(10),4,6,8-tetraene
PubChem CID104573601
Molecular FormulaC12H14N4
Molecular Weight214.27 g/mol
Exact Mass214.12
IUPAC Name15-methyl-3,6,9,15-tetrazatetracyclo[10.2.1.02,10.03,8]pentadeca-2(10),4,6,8-tetraene
SMILESCN1C2CCC1c1c(nc3cnccn13)C2
InChIInChI=1S/C12H14N4/c1-15-8-2-3-10(15)12-9(6-8)14-11-7-13-4-5-16(11)12/h4-5,7-8,10H,2-3,6H2,1H3
InChIKeyXJPUUCFOVHDJBU-UHFFFAOYSA-N
XLogP1.42
TPSA33.43 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500214.27
LogP ≤ 51.42
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 15-methyl-3,6,9,15-tetrazatetracyclo[10.2.1.02,10.03,8]pentadeca-2(10),4,6,8-tetraene?
The IUPAC name of 15-methyl-3,6,9,15-tetrazatetracyclo[10.2.1.02,10.03,8]pentadeca-2(10),4,6,8-tetraene (CID 104573601) is 15-methyl-3,6,9,15-tetrazatetracyclo[10.2.1.02,10.03,8]pentadeca-2(10),4,6,8-tetraene.
What is the SMILES notation for 15-methyl-3,6,9,15-tetrazatetracyclo[10.2.1.02,10.03,8]pentadeca-2(10),4,6,8-tetraene?
The canonical SMILES for 15-methyl-3,6,9,15-tetrazatetracyclo[10.2.1.02,10.03,8]pentadeca-2(10),4,6,8-tetraene is CN1C2CCC1c1c(nc3cnccn13)C2.
What is the InChIKey of 15-methyl-3,6,9,15-tetrazatetracyclo[10.2.1.02,10.03,8]pentadeca-2(10),4,6,8-tetraene?
The InChIKey is XJPUUCFOVHDJBU-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H14N4/c1-15-8-2-3-10(15)12-9(6-8)14-11-7-13-4-5-16(11)12/h4-5,7-8,10H,2-3,6H2,1H3.
What are the key properties of 15-methyl-3,6,9,15-tetrazatetracyclo[10.2.1.02,10.03,8]pentadeca-2(10),4,6,8-tetraene?
15-methyl-3,6,9,15-tetrazatetracyclo[10.2.1.02,10.03,8]pentadeca-2(10),4,6,8-tetraene has a molecular weight of 214.27 g/mol, XLogP of 1.42, 0 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 15-methyl-3,6,9,15-tetrazatetracyclo[10.2.1.02,10.03,8]pentadeca-2(10),4,6,8-tetraene is sourced from PubChem (CID 104573601), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).