9-methyl-3,6,9,12,15,21-hexazatetracyclo[15.3.1.13,6.112,15]tricosa-1(21),4,13,17,19-pentaene

C18H26N6 — CID 177497845

IUPAC9-methyl-3,6,9,12,15,21-hexazatetracyclo[15.3.1.13,6.112,15]tricosa-1(21),4,13,17,19-pentaene
SMILESCN1CCN2C=CN(Cc3cccc(n3)CN3C=CN(CC1)C3)C2
InChIInChI=1S/C18H26N6/c1-20-5-7-21-9-11-23(15-21)13-17-3-2-4-18(19-17)14-24-12-10-22(16-24)8-6-20/h2-4,9-12H,5-8,13-16H2,1H3
InChIKeyCRCXOIKVFINZRC-UHFFFAOYSA-N
MW326.45 g/mol
LogP1.12
Rot. Bonds

About 9-methyl-3,6,9,12,15,21-hexazatetracyclo[15.3.1.13,6.112,15]tricosa-1(21),4,13,17,19-pentaene

9-methyl-3,6,9,12,15,21-hexazatetracyclo[15.3.1.13,6.112,15]tricosa-1(21),4,13,17,19-pentaene (PubChem CID 177497845) has the molecular formula C18H26N6 and a molecular weight of 326.45 g/mol. Its IUPAC name is 9-methyl-3,6,9,12,15,21-hexazatetracyclo[15.3.1.13,6.112,15]tricosa-1(21),4,13,17,19-pentaene.

Molecular Properties

Compound Name9-methyl-3,6,9,12,15,21-hexazatetracyclo[15.3.1.13,6.112,15]tricosa-1(21),4,13,17,19-pentaene
PubChem CID177497845
Molecular FormulaC18H26N6
Molecular Weight326.45 g/mol
Exact Mass326.22
IUPAC Name9-methyl-3,6,9,12,15,21-hexazatetracyclo[15.3.1.13,6.112,15]tricosa-1(21),4,13,17,19-pentaene
SMILESCN1CCN2C=CN(Cc3cccc(n3)CN3C=CN(CC1)C3)C2
InChIInChI=1S/C18H26N6/c1-20-5-7-21-9-11-23(15-21)13-17-3-2-4-18(19-17)14-24-12-10-22(16-24)8-6-20/h2-4,9-12H,5-8,13-16H2,1H3
InChIKeyCRCXOIKVFINZRC-UHFFFAOYSA-N
XLogP1.12
TPSA29.09 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500326.45
LogP ≤ 51.12
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 9-methyl-3,6,9,12,15,21-hexazatetracyclo[15.3.1.13,6.112,15]tricosa-1(21),4,13,17,19-pentaene?
The IUPAC name of 9-methyl-3,6,9,12,15,21-hexazatetracyclo[15.3.1.13,6.112,15]tricosa-1(21),4,13,17,19-pentaene (CID 177497845) is 9-methyl-3,6,9,12,15,21-hexazatetracyclo[15.3.1.13,6.112,15]tricosa-1(21),4,13,17,19-pentaene.
What is the SMILES notation for 9-methyl-3,6,9,12,15,21-hexazatetracyclo[15.3.1.13,6.112,15]tricosa-1(21),4,13,17,19-pentaene?
The canonical SMILES for 9-methyl-3,6,9,12,15,21-hexazatetracyclo[15.3.1.13,6.112,15]tricosa-1(21),4,13,17,19-pentaene is CN1CCN2C=CN(Cc3cccc(n3)CN3C=CN(CC1)C3)C2.
What is the InChIKey of 9-methyl-3,6,9,12,15,21-hexazatetracyclo[15.3.1.13,6.112,15]tricosa-1(21),4,13,17,19-pentaene?
The InChIKey is CRCXOIKVFINZRC-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H26N6/c1-20-5-7-21-9-11-23(15-21)13-17-3-2-4-18(19-17)14-24-12-10-22(16-24)8-6-20/h2-4,9-12H,5-8,13-16H2,1H3.
What are the key properties of 9-methyl-3,6,9,12,15,21-hexazatetracyclo[15.3.1.13,6.112,15]tricosa-1(21),4,13,17,19-pentaene?
9-methyl-3,6,9,12,15,21-hexazatetracyclo[15.3.1.13,6.112,15]tricosa-1(21),4,13,17,19-pentaene has a molecular weight of 326.45 g/mol, XLogP of 1.12, 0 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 9-methyl-3,6,9,12,15,21-hexazatetracyclo[15.3.1.13,6.112,15]tricosa-1(21),4,13,17,19-pentaene is sourced from PubChem (CID 177497845), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).