(4-methyl-4,7,8,12-tetrazatricyclo[6.4.0.02,6]dodeca-1,6,9,11-tetraen-9-yl)methanol

C10H12N4O — CID 143674509

IUPAC(4-methyl-4,7,8,12-tetrazatricyclo[6.4.0.02,6]dodeca-1,6,9,11-tetraen-9-yl)methanol
SMILESCN1Cc2nn3c(CO)ccnc3c2C1
InChIInChI=1S/C10H12N4O/c1-13-4-8-9(5-13)12-14-7(6-15)2-3-11-10(8)14/h2-3,15H,4-6H2,1H3
InChIKeyODDHYNCFMIEHHP-UHFFFAOYSA-N
MW204.23 g/mol
LogP0.17
Rot. Bonds1

About (4-methyl-4,7,8,12-tetrazatricyclo[6.4.0.02,6]dodeca-1,6,9,11-tetraen-9-yl)methanol

(4-methyl-4,7,8,12-tetrazatricyclo[6.4.0.02,6]dodeca-1,6,9,11-tetraen-9-yl)methanol (PubChem CID 143674509) has the molecular formula C10H12N4O and a molecular weight of 204.23 g/mol. Its IUPAC name is (4-methyl-4,7,8,12-tetrazatricyclo[6.4.0.02,6]dodeca-1,6,9,11-tetraen-9-yl)methanol.

Molecular Properties

Compound Name(4-methyl-4,7,8,12-tetrazatricyclo[6.4.0.02,6]dodeca-1,6,9,11-tetraen-9-yl)methanol
PubChem CID143674509
Molecular FormulaC10H12N4O
Molecular Weight204.23 g/mol
Exact Mass204.10
IUPAC Name(4-methyl-4,7,8,12-tetrazatricyclo[6.4.0.02,6]dodeca-1,6,9,11-tetraen-9-yl)methanol
SMILESCN1Cc2nn3c(CO)ccnc3c2C1
InChIInChI=1S/C10H12N4O/c1-13-4-8-9(5-13)12-14-7(6-15)2-3-11-10(8)14/h2-3,15H,4-6H2,1H3
InChIKeyODDHYNCFMIEHHP-UHFFFAOYSA-N
XLogP0.17
TPSA53.66 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500204.23
LogP ≤ 50.17
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of (4-methyl-4,7,8,12-tetrazatricyclo[6.4.0.02,6]dodeca-1,6,9,11-tetraen-9-yl)methanol?
The IUPAC name of (4-methyl-4,7,8,12-tetrazatricyclo[6.4.0.02,6]dodeca-1,6,9,11-tetraen-9-yl)methanol (CID 143674509) is (4-methyl-4,7,8,12-tetrazatricyclo[6.4.0.02,6]dodeca-1,6,9,11-tetraen-9-yl)methanol.
What is the SMILES notation for (4-methyl-4,7,8,12-tetrazatricyclo[6.4.0.02,6]dodeca-1,6,9,11-tetraen-9-yl)methanol?
The canonical SMILES for (4-methyl-4,7,8,12-tetrazatricyclo[6.4.0.02,6]dodeca-1,6,9,11-tetraen-9-yl)methanol is CN1Cc2nn3c(CO)ccnc3c2C1.
What is the InChIKey of (4-methyl-4,7,8,12-tetrazatricyclo[6.4.0.02,6]dodeca-1,6,9,11-tetraen-9-yl)methanol?
The InChIKey is ODDHYNCFMIEHHP-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H12N4O/c1-13-4-8-9(5-13)12-14-7(6-15)2-3-11-10(8)14/h2-3,15H,4-6H2,1H3.
What are the key properties of (4-methyl-4,7,8,12-tetrazatricyclo[6.4.0.02,6]dodeca-1,6,9,11-tetraen-9-yl)methanol?
(4-methyl-4,7,8,12-tetrazatricyclo[6.4.0.02,6]dodeca-1,6,9,11-tetraen-9-yl)methanol has a molecular weight of 204.23 g/mol, XLogP of 0.17, 1 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (4-methyl-4,7,8,12-tetrazatricyclo[6.4.0.02,6]dodeca-1,6,9,11-tetraen-9-yl)methanol is sourced from PubChem (CID 143674509), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).