13-methyl-4-pyridin-4-yl-3,5-diazatricyclo[8.4.0.02,6]tetradeca-1(10),2(6),3,11,13-pentaene

C18H17N3 — CID 22934142

IUPAC13-methyl-4-pyridin-4-yl-3,5-diazatricyclo[8.4.0.02,6]tetradeca-1(10),2(6),3,11,13-pentaene
SMILESCc1ccc2c(c1)-c1nc(-c3ccncc3)[nH]c1CCC2
InChIInChI=1S/C18H17N3/c1-12-5-6-13-3-2-4-16-17(15(13)11-12)21-18(20-16)14-7-9-19-10-8-14/h5-11H,2-4H2,1H3,(H,20,21)
InChIKeyJUBPRXUXRYWBBC-UHFFFAOYSA-N
MW275.36 g/mol
LogP3.94
Rot. Bonds1

About 13-methyl-4-pyridin-4-yl-3,5-diazatricyclo[8.4.0.02,6]tetradeca-1(10),2(6),3,11,13-pentaene

13-methyl-4-pyridin-4-yl-3,5-diazatricyclo[8.4.0.02,6]tetradeca-1(10),2(6),3,11,13-pentaene (PubChem CID 22934142) has the molecular formula C18H17N3 and a molecular weight of 275.36 g/mol. Its IUPAC name is 13-methyl-4-pyridin-4-yl-3,5-diazatricyclo[8.4.0.02,6]tetradeca-1(10),2(6),3,11,13-pentaene.

Molecular Properties

Compound Name13-methyl-4-pyridin-4-yl-3,5-diazatricyclo[8.4.0.02,6]tetradeca-1(10),2(6),3,11,13-pentaene
PubChem CID22934142
Molecular FormulaC18H17N3
Molecular Weight275.36 g/mol
Exact Mass275.14
IUPAC Name13-methyl-4-pyridin-4-yl-3,5-diazatricyclo[8.4.0.02,6]tetradeca-1(10),2(6),3,11,13-pentaene
SMILESCc1ccc2c(c1)-c1nc(-c3ccncc3)[nH]c1CCC2
InChIInChI=1S/C18H17N3/c1-12-5-6-13-3-2-4-16-17(15(13)11-12)21-18(20-16)14-7-9-19-10-8-14/h5-11H,2-4H2,1H3,(H,20,21)
InChIKeyJUBPRXUXRYWBBC-UHFFFAOYSA-N
XLogP3.94
TPSA41.57 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500275.36
LogP ≤ 53.94
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 13-methyl-4-pyridin-4-yl-3,5-diazatricyclo[8.4.0.02,6]tetradeca-1(10),2(6),3,11,13-pentaene?
The IUPAC name of 13-methyl-4-pyridin-4-yl-3,5-diazatricyclo[8.4.0.02,6]tetradeca-1(10),2(6),3,11,13-pentaene (CID 22934142) is 13-methyl-4-pyridin-4-yl-3,5-diazatricyclo[8.4.0.02,6]tetradeca-1(10),2(6),3,11,13-pentaene.
What is the SMILES notation for 13-methyl-4-pyridin-4-yl-3,5-diazatricyclo[8.4.0.02,6]tetradeca-1(10),2(6),3,11,13-pentaene?
The canonical SMILES for 13-methyl-4-pyridin-4-yl-3,5-diazatricyclo[8.4.0.02,6]tetradeca-1(10),2(6),3,11,13-pentaene is Cc1ccc2c(c1)-c1nc(-c3ccncc3)[nH]c1CCC2.
What is the InChIKey of 13-methyl-4-pyridin-4-yl-3,5-diazatricyclo[8.4.0.02,6]tetradeca-1(10),2(6),3,11,13-pentaene?
The InChIKey is JUBPRXUXRYWBBC-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H17N3/c1-12-5-6-13-3-2-4-16-17(15(13)11-12)21-18(20-16)14-7-9-19-10-8-14/h5-11H,2-4H2,1H3,(H,20,21).
What are the key properties of 13-methyl-4-pyridin-4-yl-3,5-diazatricyclo[8.4.0.02,6]tetradeca-1(10),2(6),3,11,13-pentaene?
13-methyl-4-pyridin-4-yl-3,5-diazatricyclo[8.4.0.02,6]tetradeca-1(10),2(6),3,11,13-pentaene has a molecular weight of 275.36 g/mol, XLogP of 3.94, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 13-methyl-4-pyridin-4-yl-3,5-diazatricyclo[8.4.0.02,6]tetradeca-1(10),2(6),3,11,13-pentaene is sourced from PubChem (CID 22934142), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).