(6Z,11Z)-10,13-dimethylidene-1,3,8-triazacyclotetradeca-2,6,8,11,14-pentaene

C13H15N3 — CID 130252124

IUPAC(6Z,11Z)-10,13-dimethylidene-1,3,8-triazacyclotetradeca-2,6,8,11,14-pentaene
SMILESC=C1/C=C\C(=C)/C=N/C=N\CC/C=C\N=C\1
InChIInChI=1S/C13H15N3/c1-12-5-6-13(2)10-16-11-15-8-4-3-7-14-9-12/h3,5-7,9-11H,1-2,4,8H2/b6-5-,7-3-,14-9+,15-11-,16-10+
InChIKeyMNEYKFGCXUIKFG-CRXDTOAFSA-N
MW213.28 g/mol
LogP2.74
Rot. Bonds

About (6Z,11Z)-10,13-dimethylidene-1,3,8-triazacyclotetradeca-2,6,8,11,14-pentaene

(6Z,11Z)-10,13-dimethylidene-1,3,8-triazacyclotetradeca-2,6,8,11,14-pentaene (PubChem CID 130252124) has the molecular formula C13H15N3 and a molecular weight of 213.28 g/mol. Its IUPAC name is (6Z,11Z)-10,13-dimethylidene-1,3,8-triazacyclotetradeca-2,6,8,11,14-pentaene.

Molecular Properties

Compound Name(6Z,11Z)-10,13-dimethylidene-1,3,8-triazacyclotetradeca-2,6,8,11,14-pentaene
PubChem CID130252124
Molecular FormulaC13H15N3
Molecular Weight213.28 g/mol
Exact Mass213.13
IUPAC Name(6Z,11Z)-10,13-dimethylidene-1,3,8-triazacyclotetradeca-2,6,8,11,14-pentaene
SMILESC=C1/C=C\C(=C)/C=N/C=N\CC/C=C\N=C\1
InChIInChI=1S/C13H15N3/c1-12-5-6-13(2)10-16-11-15-8-4-3-7-14-9-12/h3,5-7,9-11H,1-2,4,8H2/b6-5-,7-3-,14-9+,15-11-,16-10+
InChIKeyMNEYKFGCXUIKFG-CRXDTOAFSA-N
XLogP2.74
TPSA37.08 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500213.28
LogP ≤ 52.74
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of (6Z,11Z)-10,13-dimethylidene-1,3,8-triazacyclotetradeca-2,6,8,11,14-pentaene?
The IUPAC name of (6Z,11Z)-10,13-dimethylidene-1,3,8-triazacyclotetradeca-2,6,8,11,14-pentaene (CID 130252124) is (6Z,11Z)-10,13-dimethylidene-1,3,8-triazacyclotetradeca-2,6,8,11,14-pentaene.
What is the SMILES notation for (6Z,11Z)-10,13-dimethylidene-1,3,8-triazacyclotetradeca-2,6,8,11,14-pentaene?
The canonical SMILES for (6Z,11Z)-10,13-dimethylidene-1,3,8-triazacyclotetradeca-2,6,8,11,14-pentaene is C=C1/C=C\C(=C)/C=N/C=N\CC/C=C\N=C\1.
What is the InChIKey of (6Z,11Z)-10,13-dimethylidene-1,3,8-triazacyclotetradeca-2,6,8,11,14-pentaene?
The InChIKey is MNEYKFGCXUIKFG-CRXDTOAFSA-N. The full InChI is InChI=1S/C13H15N3/c1-12-5-6-13(2)10-16-11-15-8-4-3-7-14-9-12/h3,5-7,9-11H,1-2,4,8H2/b6-5-,7-3-,14-9+,15-11-,16-10+.
What are the key properties of (6Z,11Z)-10,13-dimethylidene-1,3,8-triazacyclotetradeca-2,6,8,11,14-pentaene?
(6Z,11Z)-10,13-dimethylidene-1,3,8-triazacyclotetradeca-2,6,8,11,14-pentaene has a molecular weight of 213.28 g/mol, XLogP of 2.74, 0 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (6Z,11Z)-10,13-dimethylidene-1,3,8-triazacyclotetradeca-2,6,8,11,14-pentaene is sourced from PubChem (CID 130252124), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).