11-cyclopropyl-4-methyl-4,7,8,12-tetrazatricyclo[6.4.0.02,6]dodeca-1,6,9,11-tetraene

C12H14N4 — CID 143674551

IUPAC11-cyclopropyl-4-methyl-4,7,8,12-tetrazatricyclo[6.4.0.02,6]dodeca-1,6,9,11-tetraene
SMILESCN1Cc2nn3ccc(C4CC4)nc3c2C1
InChIInChI=1S/C12H14N4/c1-15-6-9-11(7-15)14-16-5-4-10(8-2-3-8)13-12(9)16/h4-5,8H,2-3,6-7H2,1H3
InChIKeyGOTNFMZRBXCPSK-UHFFFAOYSA-N
MW214.27 g/mol
LogP1.55
Rot. Bonds1

About 11-cyclopropyl-4-methyl-4,7,8,12-tetrazatricyclo[6.4.0.02,6]dodeca-1,6,9,11-tetraene

11-cyclopropyl-4-methyl-4,7,8,12-tetrazatricyclo[6.4.0.02,6]dodeca-1,6,9,11-tetraene (PubChem CID 143674551) has the molecular formula C12H14N4 and a molecular weight of 214.27 g/mol. Its IUPAC name is 11-cyclopropyl-4-methyl-4,7,8,12-tetrazatricyclo[6.4.0.02,6]dodeca-1,6,9,11-tetraene.

Molecular Properties

Compound Name11-cyclopropyl-4-methyl-4,7,8,12-tetrazatricyclo[6.4.0.02,6]dodeca-1,6,9,11-tetraene
PubChem CID143674551
Molecular FormulaC12H14N4
Molecular Weight214.27 g/mol
Exact Mass214.12
IUPAC Name11-cyclopropyl-4-methyl-4,7,8,12-tetrazatricyclo[6.4.0.02,6]dodeca-1,6,9,11-tetraene
SMILESCN1Cc2nn3ccc(C4CC4)nc3c2C1
InChIInChI=1S/C12H14N4/c1-15-6-9-11(7-15)14-16-5-4-10(8-2-3-8)13-12(9)16/h4-5,8H,2-3,6-7H2,1H3
InChIKeyGOTNFMZRBXCPSK-UHFFFAOYSA-N
XLogP1.55
TPSA33.43 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500214.27
LogP ≤ 51.55
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 11-cyclopropyl-4-methyl-4,7,8,12-tetrazatricyclo[6.4.0.02,6]dodeca-1,6,9,11-tetraene?
The IUPAC name of 11-cyclopropyl-4-methyl-4,7,8,12-tetrazatricyclo[6.4.0.02,6]dodeca-1,6,9,11-tetraene (CID 143674551) is 11-cyclopropyl-4-methyl-4,7,8,12-tetrazatricyclo[6.4.0.02,6]dodeca-1,6,9,11-tetraene.
What is the SMILES notation for 11-cyclopropyl-4-methyl-4,7,8,12-tetrazatricyclo[6.4.0.02,6]dodeca-1,6,9,11-tetraene?
The canonical SMILES for 11-cyclopropyl-4-methyl-4,7,8,12-tetrazatricyclo[6.4.0.02,6]dodeca-1,6,9,11-tetraene is CN1Cc2nn3ccc(C4CC4)nc3c2C1.
What is the InChIKey of 11-cyclopropyl-4-methyl-4,7,8,12-tetrazatricyclo[6.4.0.02,6]dodeca-1,6,9,11-tetraene?
The InChIKey is GOTNFMZRBXCPSK-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H14N4/c1-15-6-9-11(7-15)14-16-5-4-10(8-2-3-8)13-12(9)16/h4-5,8H,2-3,6-7H2,1H3.
What are the key properties of 11-cyclopropyl-4-methyl-4,7,8,12-tetrazatricyclo[6.4.0.02,6]dodeca-1,6,9,11-tetraene?
11-cyclopropyl-4-methyl-4,7,8,12-tetrazatricyclo[6.4.0.02,6]dodeca-1,6,9,11-tetraene has a molecular weight of 214.27 g/mol, XLogP of 1.55, 1 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 11-cyclopropyl-4-methyl-4,7,8,12-tetrazatricyclo[6.4.0.02,6]dodeca-1,6,9,11-tetraene is sourced from PubChem (CID 143674551), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).