4-(4-methyl-3,5,8,10-tetrazatricyclo[7.3.0.02,6]dodeca-1,4,6,8,11-pentaen-3-yl)cyclohexan-1-ol

C15H18N4O — CID 58394904

IUPAC4-(4-methyl-3,5,8,10-tetrazatricyclo[7.3.0.02,6]dodeca-1,4,6,8,11-pentaen-3-yl)cyclohexan-1-ol
SMILESCc1nc2cnc3[nH]ccc3c2n1C1CCC(O)CC1
InChIInChI=1S/C15H18N4O/c1-9-18-13-8-17-15-12(6-7-16-15)14(13)19(9)10-2-4-11(20)5-3-10/h6-8,10-11,20H,2-5H2,1H3,(H,16,17)
InChIKeyIFEXWCPEJGCTJO-UHFFFAOYSA-N
MW270.34 g/mol
LogP2.70
Rot. Bonds1

About 4-(4-methyl-3,5,8,10-tetrazatricyclo[7.3.0.02,6]dodeca-1,4,6,8,11-pentaen-3-yl)cyclohexan-1-ol

4-(4-methyl-3,5,8,10-tetrazatricyclo[7.3.0.02,6]dodeca-1,4,6,8,11-pentaen-3-yl)cyclohexan-1-ol (PubChem CID 58394904) has the molecular formula C15H18N4O and a molecular weight of 270.34 g/mol. Its IUPAC name is 4-(4-methyl-3,5,8,10-tetrazatricyclo[7.3.0.02,6]dodeca-1,4,6,8,11-pentaen-3-yl)cyclohexan-1-ol.

Molecular Properties

Compound Name4-(4-methyl-3,5,8,10-tetrazatricyclo[7.3.0.02,6]dodeca-1,4,6,8,11-pentaen-3-yl)cyclohexan-1-ol
PubChem CID58394904
Molecular FormulaC15H18N4O
Molecular Weight270.34 g/mol
Exact Mass270.15
IUPAC Name4-(4-methyl-3,5,8,10-tetrazatricyclo[7.3.0.02,6]dodeca-1,4,6,8,11-pentaen-3-yl)cyclohexan-1-ol
SMILESCc1nc2cnc3[nH]ccc3c2n1C1CCC(O)CC1
InChIInChI=1S/C15H18N4O/c1-9-18-13-8-17-15-12(6-7-16-15)14(13)19(9)10-2-4-11(20)5-3-10/h6-8,10-11,20H,2-5H2,1H3,(H,16,17)
InChIKeyIFEXWCPEJGCTJO-UHFFFAOYSA-N
XLogP2.70
TPSA66.73 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500270.34
LogP ≤ 52.70
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze 4-(4-methyl-3,5,8,10-tetrazatricyclo[7.3.0.02,6]dodeca-1,4,6,8,11-pentaen-3-yl)cyclohexan-1-ol with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 4-(4-methyl-3,5,8,10-tetrazatricyclo[7.3.0.02,6]dodeca-1,4,6,8,11-pentaen-3-yl)cyclohexan-1-ol?
The IUPAC name of 4-(4-methyl-3,5,8,10-tetrazatricyclo[7.3.0.02,6]dodeca-1,4,6,8,11-pentaen-3-yl)cyclohexan-1-ol (CID 58394904) is 4-(4-methyl-3,5,8,10-tetrazatricyclo[7.3.0.02,6]dodeca-1,4,6,8,11-pentaen-3-yl)cyclohexan-1-ol.
What is the SMILES notation for 4-(4-methyl-3,5,8,10-tetrazatricyclo[7.3.0.02,6]dodeca-1,4,6,8,11-pentaen-3-yl)cyclohexan-1-ol?
The canonical SMILES for 4-(4-methyl-3,5,8,10-tetrazatricyclo[7.3.0.02,6]dodeca-1,4,6,8,11-pentaen-3-yl)cyclohexan-1-ol is Cc1nc2cnc3[nH]ccc3c2n1C1CCC(O)CC1.
What is the InChIKey of 4-(4-methyl-3,5,8,10-tetrazatricyclo[7.3.0.02,6]dodeca-1,4,6,8,11-pentaen-3-yl)cyclohexan-1-ol?
The InChIKey is IFEXWCPEJGCTJO-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H18N4O/c1-9-18-13-8-17-15-12(6-7-16-15)14(13)19(9)10-2-4-11(20)5-3-10/h6-8,10-11,20H,2-5H2,1H3,(H,16,17).
What are the key properties of 4-(4-methyl-3,5,8,10-tetrazatricyclo[7.3.0.02,6]dodeca-1,4,6,8,11-pentaen-3-yl)cyclohexan-1-ol?
4-(4-methyl-3,5,8,10-tetrazatricyclo[7.3.0.02,6]dodeca-1,4,6,8,11-pentaen-3-yl)cyclohexan-1-ol has a molecular weight of 270.34 g/mol, XLogP of 2.70, 1 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(4-methyl-3,5,8,10-tetrazatricyclo[7.3.0.02,6]dodeca-1,4,6,8,11-pentaen-3-yl)cyclohexan-1-ol is sourced from PubChem (CID 58394904), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).