2-(14-chloro-6,10,12-triazatetracyclo[7.7.0.02,6.011,16]hexadeca-1(9),11(16),12,14-tetraen-10-yl)-1-pyrazin-2-ylethanol

C19H20ClN5O — CID 71007992

IUPAC2-(14-chloro-6,10,12-triazatetracyclo[7.7.0.02,6.011,16]hexadeca-1(9),11(16),12,14-tetraen-10-yl)-1-pyrazin-2-ylethanol
SMILESOC(Cn1c2c(c3cc(Cl)cnc31)C1CCCN1CC2)c1cnccn1
InChIInChI=1S/C19H20ClN5O/c20-12-8-13-18-15-2-1-6-24(15)7-3-16(18)25(19(13)23-9-12)11-17(26)14-10-21-4-5-22-14/h4-5,8-10,15,17,26H,1-3,6-7,11H2
InChIKeyWLFAGDPBTDXOGL-UHFFFAOYSA-N
MW369.86 g/mol
LogP2.91
Rot. Bonds3

About 2-(14-chloro-6,10,12-triazatetracyclo[7.7.0.02,6.011,16]hexadeca-1(9),11(16),12,14-tetraen-10-yl)-1-pyrazin-2-ylethanol

2-(14-chloro-6,10,12-triazatetracyclo[7.7.0.02,6.011,16]hexadeca-1(9),11(16),12,14-tetraen-10-yl)-1-pyrazin-2-ylethanol (PubChem CID 71007992) has the molecular formula C19H20ClN5O and a molecular weight of 369.86 g/mol. Its IUPAC name is 2-(14-chloro-6,10,12-triazatetracyclo[7.7.0.02,6.011,16]hexadeca-1(9),11(16),12,14-tetraen-10-yl)-1-pyrazin-2-ylethanol.

Molecular Properties

Compound Name2-(14-chloro-6,10,12-triazatetracyclo[7.7.0.02,6.011,16]hexadeca-1(9),11(16),12,14-tetraen-10-yl)-1-pyrazin-2-ylethanol
PubChem CID71007992
Molecular FormulaC19H20ClN5O
Molecular Weight369.86 g/mol
Exact Mass369.14
IUPAC Name2-(14-chloro-6,10,12-triazatetracyclo[7.7.0.02,6.011,16]hexadeca-1(9),11(16),12,14-tetraen-10-yl)-1-pyrazin-2-ylethanol
SMILESOC(Cn1c2c(c3cc(Cl)cnc31)C1CCCN1CC2)c1cnccn1
InChIInChI=1S/C19H20ClN5O/c20-12-8-13-18-15-2-1-6-24(15)7-3-16(18)25(19(13)23-9-12)11-17(26)14-10-21-4-5-22-14/h4-5,8-10,15,17,26H,1-3,6-7,11H2
InChIKeyWLFAGDPBTDXOGL-UHFFFAOYSA-N
XLogP2.91
TPSA67.07 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500369.86
LogP ≤ 52.91
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze 2-(14-chloro-6,10,12-triazatetracyclo[7.7.0.02,6.011,16]hexadeca-1(9),11(16),12,14-tetraen-10-yl)-1-pyrazin-2-ylethanol with MolForge

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Frequently Asked Questions

What is the IUPAC name of 2-(14-chloro-6,10,12-triazatetracyclo[7.7.0.02,6.011,16]hexadeca-1(9),11(16),12,14-tetraen-10-yl)-1-pyrazin-2-ylethanol?
The IUPAC name of 2-(14-chloro-6,10,12-triazatetracyclo[7.7.0.02,6.011,16]hexadeca-1(9),11(16),12,14-tetraen-10-yl)-1-pyrazin-2-ylethanol (CID 71007992) is 2-(14-chloro-6,10,12-triazatetracyclo[7.7.0.02,6.011,16]hexadeca-1(9),11(16),12,14-tetraen-10-yl)-1-pyrazin-2-ylethanol.
What is the SMILES notation for 2-(14-chloro-6,10,12-triazatetracyclo[7.7.0.02,6.011,16]hexadeca-1(9),11(16),12,14-tetraen-10-yl)-1-pyrazin-2-ylethanol?
The canonical SMILES for 2-(14-chloro-6,10,12-triazatetracyclo[7.7.0.02,6.011,16]hexadeca-1(9),11(16),12,14-tetraen-10-yl)-1-pyrazin-2-ylethanol is OC(Cn1c2c(c3cc(Cl)cnc31)C1CCCN1CC2)c1cnccn1.
What is the InChIKey of 2-(14-chloro-6,10,12-triazatetracyclo[7.7.0.02,6.011,16]hexadeca-1(9),11(16),12,14-tetraen-10-yl)-1-pyrazin-2-ylethanol?
The InChIKey is WLFAGDPBTDXOGL-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H20ClN5O/c20-12-8-13-18-15-2-1-6-24(15)7-3-16(18)25(19(13)23-9-12)11-17(26)14-10-21-4-5-22-14/h4-5,8-10,15,17,26H,1-3,6-7,11H2.
What are the key properties of 2-(14-chloro-6,10,12-triazatetracyclo[7.7.0.02,6.011,16]hexadeca-1(9),11(16),12,14-tetraen-10-yl)-1-pyrazin-2-ylethanol?
2-(14-chloro-6,10,12-triazatetracyclo[7.7.0.02,6.011,16]hexadeca-1(9),11(16),12,14-tetraen-10-yl)-1-pyrazin-2-ylethanol has a molecular weight of 369.86 g/mol, XLogP of 2.91, 3 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(14-chloro-6,10,12-triazatetracyclo[7.7.0.02,6.011,16]hexadeca-1(9),11(16),12,14-tetraen-10-yl)-1-pyrazin-2-ylethanol is sourced from PubChem (CID 71007992), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).