8-(2-methylphenyl)-4,5,7-triazatricyclo[7.5.0.02,6]tetradeca-1(9),2,5,7-tetraen-3-amine

C18H20N4 — CID 59311734

IUPAC8-(2-methylphenyl)-4,5,7-triazatricyclo[7.5.0.02,6]tetradeca-1(9),2,5,7-tetraen-3-amine
SMILESCc1ccccc1-c1nc2n[nH]c(N)c2c2c1CCCCC2
InChIInChI=1S/C18H20N4/c1-11-7-5-6-8-12(11)16-14-10-4-2-3-9-13(14)15-17(19)21-22-18(15)20-16/h5-8H,2-4,9-10H2,1H3,(H3,19,20,21,22)
InChIKeyQJJHGBWXLQZWHB-UHFFFAOYSA-N
MW292.39 g/mol
LogP3.78
Rot. Bonds1

About 8-(2-methylphenyl)-4,5,7-triazatricyclo[7.5.0.02,6]tetradeca-1(9),2,5,7-tetraen-3-amine

8-(2-methylphenyl)-4,5,7-triazatricyclo[7.5.0.02,6]tetradeca-1(9),2,5,7-tetraen-3-amine (PubChem CID 59311734) has the molecular formula C18H20N4 and a molecular weight of 292.39 g/mol. Its IUPAC name is 8-(2-methylphenyl)-4,5,7-triazatricyclo[7.5.0.02,6]tetradeca-1(9),2,5,7-tetraen-3-amine.

Molecular Properties

Compound Name8-(2-methylphenyl)-4,5,7-triazatricyclo[7.5.0.02,6]tetradeca-1(9),2,5,7-tetraen-3-amine
PubChem CID59311734
Molecular FormulaC18H20N4
Molecular Weight292.39 g/mol
Exact Mass292.17
IUPAC Name8-(2-methylphenyl)-4,5,7-triazatricyclo[7.5.0.02,6]tetradeca-1(9),2,5,7-tetraen-3-amine
SMILESCc1ccccc1-c1nc2n[nH]c(N)c2c2c1CCCCC2
InChIInChI=1S/C18H20N4/c1-11-7-5-6-8-12(11)16-14-10-4-2-3-9-13(14)15-17(19)21-22-18(15)20-16/h5-8H,2-4,9-10H2,1H3,(H3,19,20,21,22)
InChIKeyQJJHGBWXLQZWHB-UHFFFAOYSA-N
XLogP3.78
TPSA67.59 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.39
LogP ≤ 53.78
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 8-(2-methylphenyl)-4,5,7-triazatricyclo[7.5.0.02,6]tetradeca-1(9),2,5,7-tetraen-3-amine?
The IUPAC name of 8-(2-methylphenyl)-4,5,7-triazatricyclo[7.5.0.02,6]tetradeca-1(9),2,5,7-tetraen-3-amine (CID 59311734) is 8-(2-methylphenyl)-4,5,7-triazatricyclo[7.5.0.02,6]tetradeca-1(9),2,5,7-tetraen-3-amine.
What is the SMILES notation for 8-(2-methylphenyl)-4,5,7-triazatricyclo[7.5.0.02,6]tetradeca-1(9),2,5,7-tetraen-3-amine?
The canonical SMILES for 8-(2-methylphenyl)-4,5,7-triazatricyclo[7.5.0.02,6]tetradeca-1(9),2,5,7-tetraen-3-amine is Cc1ccccc1-c1nc2n[nH]c(N)c2c2c1CCCCC2.
What is the InChIKey of 8-(2-methylphenyl)-4,5,7-triazatricyclo[7.5.0.02,6]tetradeca-1(9),2,5,7-tetraen-3-amine?
The InChIKey is QJJHGBWXLQZWHB-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H20N4/c1-11-7-5-6-8-12(11)16-14-10-4-2-3-9-13(14)15-17(19)21-22-18(15)20-16/h5-8H,2-4,9-10H2,1H3,(H3,19,20,21,22).
What are the key properties of 8-(2-methylphenyl)-4,5,7-triazatricyclo[7.5.0.02,6]tetradeca-1(9),2,5,7-tetraen-3-amine?
8-(2-methylphenyl)-4,5,7-triazatricyclo[7.5.0.02,6]tetradeca-1(9),2,5,7-tetraen-3-amine has a molecular weight of 292.39 g/mol, XLogP of 3.78, 1 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 8-(2-methylphenyl)-4,5,7-triazatricyclo[7.5.0.02,6]tetradeca-1(9),2,5,7-tetraen-3-amine is sourced from PubChem (CID 59311734), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).