2-(14-methyl-6,10,12-triazatetracyclo[7.7.0.02,6.011,16]hexadeca-1(9),11(16),12,14-tetraen-10-yl)-1-(2H-triazol-4-yl)ethanol

C18H22N6O — CID 118011590

IUPAC2-(14-methyl-6,10,12-triazatetracyclo[7.7.0.02,6.011,16]hexadeca-1(9),11(16),12,14-tetraen-10-yl)-1-(2H-triazol-4-yl)ethanol
SMILESCc1cnc2c(c1)c1c(n2CC(O)c2cn[nH]n2)CCN2CCCC12
InChIInChI=1S/C18H22N6O/c1-11-7-12-17-14-3-2-5-23(14)6-4-15(17)24(18(12)19-8-11)10-16(25)13-9-20-22-21-13/h7-9,14,16,25H,2-6,10H2,1H3,(H,20,21,22)
InChIKeyVTFRIXLEQHALFX-UHFFFAOYSA-N
MW338.41 g/mol
LogP1.89
Rot. Bonds3

About 2-(14-methyl-6,10,12-triazatetracyclo[7.7.0.02,6.011,16]hexadeca-1(9),11(16),12,14-tetraen-10-yl)-1-(2H-triazol-4-yl)ethanol

2-(14-methyl-6,10,12-triazatetracyclo[7.7.0.02,6.011,16]hexadeca-1(9),11(16),12,14-tetraen-10-yl)-1-(2H-triazol-4-yl)ethanol (PubChem CID 118011590) has the molecular formula C18H22N6O and a molecular weight of 338.41 g/mol. Its IUPAC name is 2-(14-methyl-6,10,12-triazatetracyclo[7.7.0.02,6.011,16]hexadeca-1(9),11(16),12,14-tetraen-10-yl)-1-(2H-triazol-4-yl)ethanol.

Molecular Properties

Compound Name2-(14-methyl-6,10,12-triazatetracyclo[7.7.0.02,6.011,16]hexadeca-1(9),11(16),12,14-tetraen-10-yl)-1-(2H-triazol-4-yl)ethanol
PubChem CID118011590
Molecular FormulaC18H22N6O
Molecular Weight338.41 g/mol
Exact Mass338.19
IUPAC Name2-(14-methyl-6,10,12-triazatetracyclo[7.7.0.02,6.011,16]hexadeca-1(9),11(16),12,14-tetraen-10-yl)-1-(2H-triazol-4-yl)ethanol
SMILESCc1cnc2c(c1)c1c(n2CC(O)c2cn[nH]n2)CCN2CCCC12
InChIInChI=1S/C18H22N6O/c1-11-7-12-17-14-3-2-5-23(14)6-4-15(17)24(18(12)19-8-11)10-16(25)13-9-20-22-21-13/h7-9,14,16,25H,2-6,10H2,1H3,(H,20,21,22)
InChIKeyVTFRIXLEQHALFX-UHFFFAOYSA-N
XLogP1.89
TPSA82.86 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500338.41
LogP ≤ 51.89
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Analyze 2-(14-methyl-6,10,12-triazatetracyclo[7.7.0.02,6.011,16]hexadeca-1(9),11(16),12,14-tetraen-10-yl)-1-(2H-triazol-4-yl)ethanol with MolForge

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Frequently Asked Questions

What is the IUPAC name of 2-(14-methyl-6,10,12-triazatetracyclo[7.7.0.02,6.011,16]hexadeca-1(9),11(16),12,14-tetraen-10-yl)-1-(2H-triazol-4-yl)ethanol?
The IUPAC name of 2-(14-methyl-6,10,12-triazatetracyclo[7.7.0.02,6.011,16]hexadeca-1(9),11(16),12,14-tetraen-10-yl)-1-(2H-triazol-4-yl)ethanol (CID 118011590) is 2-(14-methyl-6,10,12-triazatetracyclo[7.7.0.02,6.011,16]hexadeca-1(9),11(16),12,14-tetraen-10-yl)-1-(2H-triazol-4-yl)ethanol.
What is the SMILES notation for 2-(14-methyl-6,10,12-triazatetracyclo[7.7.0.02,6.011,16]hexadeca-1(9),11(16),12,14-tetraen-10-yl)-1-(2H-triazol-4-yl)ethanol?
The canonical SMILES for 2-(14-methyl-6,10,12-triazatetracyclo[7.7.0.02,6.011,16]hexadeca-1(9),11(16),12,14-tetraen-10-yl)-1-(2H-triazol-4-yl)ethanol is Cc1cnc2c(c1)c1c(n2CC(O)c2cn[nH]n2)CCN2CCCC12.
What is the InChIKey of 2-(14-methyl-6,10,12-triazatetracyclo[7.7.0.02,6.011,16]hexadeca-1(9),11(16),12,14-tetraen-10-yl)-1-(2H-triazol-4-yl)ethanol?
The InChIKey is VTFRIXLEQHALFX-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H22N6O/c1-11-7-12-17-14-3-2-5-23(14)6-4-15(17)24(18(12)19-8-11)10-16(25)13-9-20-22-21-13/h7-9,14,16,25H,2-6,10H2,1H3,(H,20,21,22).
What are the key properties of 2-(14-methyl-6,10,12-triazatetracyclo[7.7.0.02,6.011,16]hexadeca-1(9),11(16),12,14-tetraen-10-yl)-1-(2H-triazol-4-yl)ethanol?
2-(14-methyl-6,10,12-triazatetracyclo[7.7.0.02,6.011,16]hexadeca-1(9),11(16),12,14-tetraen-10-yl)-1-(2H-triazol-4-yl)ethanol has a molecular weight of 338.41 g/mol, XLogP of 1.89, 3 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(14-methyl-6,10,12-triazatetracyclo[7.7.0.02,6.011,16]hexadeca-1(9),11(16),12,14-tetraen-10-yl)-1-(2H-triazol-4-yl)ethanol is sourced from PubChem (CID 118011590), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).