10,14-dimethyl-12-(2-pyrazin-2-ylethyl)-6,10,13-triazatetracyclo[7.7.0.02,6.011,16]hexadeca-1(9),11(16),12,14-tetraene

C21H25N5 — CID 53371586

IUPAC10,14-dimethyl-12-(2-pyrazin-2-ylethyl)-6,10,13-triazatetracyclo[7.7.0.02,6.011,16]hexadeca-1(9),11(16),12,14-tetraene
SMILESCc1cc2c3c(n(C)c2c(CCc2cnccn2)n1)CCN1CCCC31
InChIInChI=1S/C21H25N5/c1-14-12-16-20-18(7-11-26-10-3-4-19(20)26)25(2)21(16)17(24-14)6-5-15-13-22-8-9-23-15/h8-9,12-13,19H,3-7,10-11H2,1-2H3
InChIKeyARBGSSXZMRDFAO-UHFFFAOYSA-N
MW347.47 g/mol
LogP3.15
Rot. Bonds3

About 10,14-dimethyl-12-(2-pyrazin-2-ylethyl)-6,10,13-triazatetracyclo[7.7.0.02,6.011,16]hexadeca-1(9),11(16),12,14-tetraene

10,14-dimethyl-12-(2-pyrazin-2-ylethyl)-6,10,13-triazatetracyclo[7.7.0.02,6.011,16]hexadeca-1(9),11(16),12,14-tetraene (PubChem CID 53371586) has the molecular formula C21H25N5 and a molecular weight of 347.47 g/mol. Its IUPAC name is 10,14-dimethyl-12-(2-pyrazin-2-ylethyl)-6,10,13-triazatetracyclo[7.7.0.02,6.011,16]hexadeca-1(9),11(16),12,14-tetraene.

Molecular Properties

Compound Name10,14-dimethyl-12-(2-pyrazin-2-ylethyl)-6,10,13-triazatetracyclo[7.7.0.02,6.011,16]hexadeca-1(9),11(16),12,14-tetraene
PubChem CID53371586
Molecular FormulaC21H25N5
Molecular Weight347.47 g/mol
Exact Mass347.21
IUPAC Name10,14-dimethyl-12-(2-pyrazin-2-ylethyl)-6,10,13-triazatetracyclo[7.7.0.02,6.011,16]hexadeca-1(9),11(16),12,14-tetraene
SMILESCc1cc2c3c(n(C)c2c(CCc2cnccn2)n1)CCN1CCCC31
InChIInChI=1S/C21H25N5/c1-14-12-16-20-18(7-11-26-10-3-4-19(20)26)25(2)21(16)17(24-14)6-5-15-13-22-8-9-23-15/h8-9,12-13,19H,3-7,10-11H2,1-2H3
InChIKeyARBGSSXZMRDFAO-UHFFFAOYSA-N
XLogP3.15
TPSA46.84 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500347.47
LogP ≤ 53.15
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Analyze 10,14-dimethyl-12-(2-pyrazin-2-ylethyl)-6,10,13-triazatetracyclo[7.7.0.02,6.011,16]hexadeca-1(9),11(16),12,14-tetraene with MolForge

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Frequently Asked Questions

What is the IUPAC name of 10,14-dimethyl-12-(2-pyrazin-2-ylethyl)-6,10,13-triazatetracyclo[7.7.0.02,6.011,16]hexadeca-1(9),11(16),12,14-tetraene?
The IUPAC name of 10,14-dimethyl-12-(2-pyrazin-2-ylethyl)-6,10,13-triazatetracyclo[7.7.0.02,6.011,16]hexadeca-1(9),11(16),12,14-tetraene (CID 53371586) is 10,14-dimethyl-12-(2-pyrazin-2-ylethyl)-6,10,13-triazatetracyclo[7.7.0.02,6.011,16]hexadeca-1(9),11(16),12,14-tetraene.
What is the SMILES notation for 10,14-dimethyl-12-(2-pyrazin-2-ylethyl)-6,10,13-triazatetracyclo[7.7.0.02,6.011,16]hexadeca-1(9),11(16),12,14-tetraene?
The canonical SMILES for 10,14-dimethyl-12-(2-pyrazin-2-ylethyl)-6,10,13-triazatetracyclo[7.7.0.02,6.011,16]hexadeca-1(9),11(16),12,14-tetraene is Cc1cc2c3c(n(C)c2c(CCc2cnccn2)n1)CCN1CCCC31.
What is the InChIKey of 10,14-dimethyl-12-(2-pyrazin-2-ylethyl)-6,10,13-triazatetracyclo[7.7.0.02,6.011,16]hexadeca-1(9),11(16),12,14-tetraene?
The InChIKey is ARBGSSXZMRDFAO-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H25N5/c1-14-12-16-20-18(7-11-26-10-3-4-19(20)26)25(2)21(16)17(24-14)6-5-15-13-22-8-9-23-15/h8-9,12-13,19H,3-7,10-11H2,1-2H3.
What are the key properties of 10,14-dimethyl-12-(2-pyrazin-2-ylethyl)-6,10,13-triazatetracyclo[7.7.0.02,6.011,16]hexadeca-1(9),11(16),12,14-tetraene?
10,14-dimethyl-12-(2-pyrazin-2-ylethyl)-6,10,13-triazatetracyclo[7.7.0.02,6.011,16]hexadeca-1(9),11(16),12,14-tetraene has a molecular weight of 347.47 g/mol, XLogP of 3.15, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 10,14-dimethyl-12-(2-pyrazin-2-ylethyl)-6,10,13-triazatetracyclo[7.7.0.02,6.011,16]hexadeca-1(9),11(16),12,14-tetraene is sourced from PubChem (CID 53371586), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).