11-methyl-8-(2-methylphenyl)-4,5,7-triazatricyclo[7.3.0.02,6]dodeca-1(9),2,5,7-tetraen-3-amine

C17H18N4 — CID 59311697

IUPAC11-methyl-8-(2-methylphenyl)-4,5,7-triazatricyclo[7.3.0.02,6]dodeca-1(9),2,5,7-tetraen-3-amine
SMILESCc1ccccc1-c1nc2n[nH]c(N)c2c2c1CC(C)C2
InChIInChI=1S/C17H18N4/c1-9-7-12-13(8-9)15(11-6-4-3-5-10(11)2)19-17-14(12)16(18)20-21-17/h3-6,9H,7-8H2,1-2H3,(H3,18,19,20,21)
InChIKeyGQIGTKRNFGXRSW-UHFFFAOYSA-N
MW278.36 g/mol
LogP3.25
Rot. Bonds1

About 11-methyl-8-(2-methylphenyl)-4,5,7-triazatricyclo[7.3.0.02,6]dodeca-1(9),2,5,7-tetraen-3-amine

11-methyl-8-(2-methylphenyl)-4,5,7-triazatricyclo[7.3.0.02,6]dodeca-1(9),2,5,7-tetraen-3-amine (PubChem CID 59311697) has the molecular formula C17H18N4 and a molecular weight of 278.36 g/mol. Its IUPAC name is 11-methyl-8-(2-methylphenyl)-4,5,7-triazatricyclo[7.3.0.02,6]dodeca-1(9),2,5,7-tetraen-3-amine.

Molecular Properties

Compound Name11-methyl-8-(2-methylphenyl)-4,5,7-triazatricyclo[7.3.0.02,6]dodeca-1(9),2,5,7-tetraen-3-amine
PubChem CID59311697
Molecular FormulaC17H18N4
Molecular Weight278.36 g/mol
Exact Mass278.15
IUPAC Name11-methyl-8-(2-methylphenyl)-4,5,7-triazatricyclo[7.3.0.02,6]dodeca-1(9),2,5,7-tetraen-3-amine
SMILESCc1ccccc1-c1nc2n[nH]c(N)c2c2c1CC(C)C2
InChIInChI=1S/C17H18N4/c1-9-7-12-13(8-9)15(11-6-4-3-5-10(11)2)19-17-14(12)16(18)20-21-17/h3-6,9H,7-8H2,1-2H3,(H3,18,19,20,21)
InChIKeyGQIGTKRNFGXRSW-UHFFFAOYSA-N
XLogP3.25
TPSA67.59 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500278.36
LogP ≤ 53.25
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

8-(2-methylphenyl)-4,5,7-triazatricyclo[7.5.0.02,6]tetradeca-1(9),2,5,7-tetraen-3-amine
CID 59311734
3-amino-4-methyl-6-(2-methylphenyl)-2H-pyrazolo[3,4-b]pyridine-5-carbonitrile
CID 46206259
N-[3-(3-amino-11-methyl-4,5,7-triazatricyclo[7.3.0.02,6]dodeca-1(9),2,5,7-tetraen-8-yl)-4-methylphenyl]-3-(fluoromethyl)benzamide
CID 70888727
5-(4-chlorophenyl)-8-methyl-6,7,8,9-tetrahydro-2H-pyrazolo[3,4-c]isoquinolin-1-amine
CID 59311778
6-(2-methylphenyl)-1,3,5-triazine-2,4-diamine
CID 2730671
6-[2-[3-amino-6-(2-methylphenyl)-2H-pyrazolo[3,4-b]pyridin-4-yl]ethylamino]hexan-1-ol
CID 59311711
4-methyl-5-[2-(4-methylpiperazin-1-yl)ethyl]-6-phenyl-2H-pyrazolo[3,4-b]pyridin-3-amine
CID 46203354
5-propan-2-yl-6,7,8,9-tetrahydro-2H-pyrazolo[3,4-c]isoquinolin-1-amine
CID 658108
4-methyl-2H-pyrazolo[3,4-b]pyridin-3-amine
CID 45078985
2-(2-methylphenyl)-5,7-dihydrofuro[3,4-d]pyrimidin-4-amine
CID 83862354
5-methyl-4-phenyl-2H-pyrazolo[3,4-b]pyridin-3-amine
CID 118712699
2,3-dimethyl-5-(2-methylphenyl)imidazol-4-amine
CID 62225946

Frequently Asked Questions

What is the IUPAC name of 11-methyl-8-(2-methylphenyl)-4,5,7-triazatricyclo[7.3.0.02,6]dodeca-1(9),2,5,7-tetraen-3-amine?
The IUPAC name of 11-methyl-8-(2-methylphenyl)-4,5,7-triazatricyclo[7.3.0.02,6]dodeca-1(9),2,5,7-tetraen-3-amine (CID 59311697) is 11-methyl-8-(2-methylphenyl)-4,5,7-triazatricyclo[7.3.0.02,6]dodeca-1(9),2,5,7-tetraen-3-amine.
What is the SMILES notation for 11-methyl-8-(2-methylphenyl)-4,5,7-triazatricyclo[7.3.0.02,6]dodeca-1(9),2,5,7-tetraen-3-amine?
The canonical SMILES for 11-methyl-8-(2-methylphenyl)-4,5,7-triazatricyclo[7.3.0.02,6]dodeca-1(9),2,5,7-tetraen-3-amine is Cc1ccccc1-c1nc2n[nH]c(N)c2c2c1CC(C)C2.
What is the InChIKey of 11-methyl-8-(2-methylphenyl)-4,5,7-triazatricyclo[7.3.0.02,6]dodeca-1(9),2,5,7-tetraen-3-amine?
The InChIKey is GQIGTKRNFGXRSW-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H18N4/c1-9-7-12-13(8-9)15(11-6-4-3-5-10(11)2)19-17-14(12)16(18)20-21-17/h3-6,9H,7-8H2,1-2H3,(H3,18,19,20,21).
What are the key properties of 11-methyl-8-(2-methylphenyl)-4,5,7-triazatricyclo[7.3.0.02,6]dodeca-1(9),2,5,7-tetraen-3-amine?
11-methyl-8-(2-methylphenyl)-4,5,7-triazatricyclo[7.3.0.02,6]dodeca-1(9),2,5,7-tetraen-3-amine has a molecular weight of 278.36 g/mol, XLogP of 3.25, 1 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 11-methyl-8-(2-methylphenyl)-4,5,7-triazatricyclo[7.3.0.02,6]dodeca-1(9),2,5,7-tetraen-3-amine is sourced from PubChem (CID 59311697), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).