6-methyl-12-propan-2-yl-1,4,7,13-tetrazatricyclo[8.3.0.03,7]trideca-3,5,10,12-tetraene

C13H18N4 — CID 146322911

IUPAC6-methyl-12-propan-2-yl-1,4,7,13-tetrazatricyclo[8.3.0.03,7]trideca-3,5,10,12-tetraene
SMILESCc1cnc2n1CCc1cc(C(C)C)nn1C2
InChIInChI=1S/C13H18N4/c1-9(2)12-6-11-4-5-16-10(3)7-14-13(16)8-17(11)15-12/h6-7,9H,4-5,8H2,1-3H3
InChIKeySPBZINPQRSTEGP-UHFFFAOYSA-N
MW230.31 g/mol
LogP2.12
Rot. Bonds1

About 6-methyl-12-propan-2-yl-1,4,7,13-tetrazatricyclo[8.3.0.03,7]trideca-3,5,10,12-tetraene

6-methyl-12-propan-2-yl-1,4,7,13-tetrazatricyclo[8.3.0.03,7]trideca-3,5,10,12-tetraene (PubChem CID 146322911) has the molecular formula C13H18N4 and a molecular weight of 230.31 g/mol. Its IUPAC name is 6-methyl-12-propan-2-yl-1,4,7,13-tetrazatricyclo[8.3.0.03,7]trideca-3,5,10,12-tetraene.

Molecular Properties

Compound Name6-methyl-12-propan-2-yl-1,4,7,13-tetrazatricyclo[8.3.0.03,7]trideca-3,5,10,12-tetraene
PubChem CID146322911
Molecular FormulaC13H18N4
Molecular Weight230.31 g/mol
Exact Mass230.15
IUPAC Name6-methyl-12-propan-2-yl-1,4,7,13-tetrazatricyclo[8.3.0.03,7]trideca-3,5,10,12-tetraene
SMILESCc1cnc2n1CCc1cc(C(C)C)nn1C2
InChIInChI=1S/C13H18N4/c1-9(2)12-6-11-4-5-16-10(3)7-14-13(16)8-17(11)15-12/h6-7,9H,4-5,8H2,1-3H3
InChIKeySPBZINPQRSTEGP-UHFFFAOYSA-N
XLogP2.12
TPSA35.64 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500230.31
LogP ≤ 52.12
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 6-methyl-12-propan-2-yl-1,4,7,13-tetrazatricyclo[8.3.0.03,7]trideca-3,5,10,12-tetraene?
The IUPAC name of 6-methyl-12-propan-2-yl-1,4,7,13-tetrazatricyclo[8.3.0.03,7]trideca-3,5,10,12-tetraene (CID 146322911) is 6-methyl-12-propan-2-yl-1,4,7,13-tetrazatricyclo[8.3.0.03,7]trideca-3,5,10,12-tetraene.
What is the SMILES notation for 6-methyl-12-propan-2-yl-1,4,7,13-tetrazatricyclo[8.3.0.03,7]trideca-3,5,10,12-tetraene?
The canonical SMILES for 6-methyl-12-propan-2-yl-1,4,7,13-tetrazatricyclo[8.3.0.03,7]trideca-3,5,10,12-tetraene is Cc1cnc2n1CCc1cc(C(C)C)nn1C2.
What is the InChIKey of 6-methyl-12-propan-2-yl-1,4,7,13-tetrazatricyclo[8.3.0.03,7]trideca-3,5,10,12-tetraene?
The InChIKey is SPBZINPQRSTEGP-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18N4/c1-9(2)12-6-11-4-5-16-10(3)7-14-13(16)8-17(11)15-12/h6-7,9H,4-5,8H2,1-3H3.
What are the key properties of 6-methyl-12-propan-2-yl-1,4,7,13-tetrazatricyclo[8.3.0.03,7]trideca-3,5,10,12-tetraene?
6-methyl-12-propan-2-yl-1,4,7,13-tetrazatricyclo[8.3.0.03,7]trideca-3,5,10,12-tetraene has a molecular weight of 230.31 g/mol, XLogP of 2.12, 1 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-methyl-12-propan-2-yl-1,4,7,13-tetrazatricyclo[8.3.0.03,7]trideca-3,5,10,12-tetraene is sourced from PubChem (CID 146322911), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).