N-methyl-8-(methylaminomethyl)-N-phenyl-[1,2,4]triazolo[4,3-a]quinazolin-5-amine

C18H18N6 — CID 156557611

IUPACN-methyl-8-(methylaminomethyl)-N-phenyl-[1,2,4]triazolo[4,3-a]quinazolin-5-amine
SMILESCNCc1ccc2c(N(C)c3ccccc3)nc3nncn3c2c1
InChIInChI=1S/C18H18N6/c1-19-11-13-8-9-15-16(10-13)24-12-20-22-18(24)21-17(15)23(2)14-6-4-3-5-7-14/h3-10,12,19H,11H2,1-2H3
InChIKeyAVODMWUIBFVHJR-UHFFFAOYSA-N
MW318.38 g/mol
LogP2.76
Rot. Bonds4

About N-methyl-8-(methylaminomethyl)-N-phenyl-[1,2,4]triazolo[4,3-a]quinazolin-5-amine

N-methyl-8-(methylaminomethyl)-N-phenyl-[1,2,4]triazolo[4,3-a]quinazolin-5-amine (PubChem CID 156557611) has the molecular formula C18H18N6 and a molecular weight of 318.38 g/mol. Its IUPAC name is N-methyl-8-(methylaminomethyl)-N-phenyl-[1,2,4]triazolo[4,3-a]quinazolin-5-amine.

Molecular Properties

Compound NameN-methyl-8-(methylaminomethyl)-N-phenyl-[1,2,4]triazolo[4,3-a]quinazolin-5-amine
PubChem CID156557611
Molecular FormulaC18H18N6
Molecular Weight318.38 g/mol
Exact Mass318.16
IUPAC NameN-methyl-8-(methylaminomethyl)-N-phenyl-[1,2,4]triazolo[4,3-a]quinazolin-5-amine
SMILESCNCc1ccc2c(N(C)c3ccccc3)nc3nncn3c2c1
InChIInChI=1S/C18H18N6/c1-19-11-13-8-9-15-16(10-13)24-12-20-22-18(24)21-17(15)23(2)14-6-4-3-5-7-14/h3-10,12,19H,11H2,1-2H3
InChIKeyAVODMWUIBFVHJR-UHFFFAOYSA-N
XLogP2.76
TPSA58.35 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500318.38
LogP ≤ 52.76
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of N-methyl-8-(methylaminomethyl)-N-phenyl-[1,2,4]triazolo[4,3-a]quinazolin-5-amine?
The IUPAC name of N-methyl-8-(methylaminomethyl)-N-phenyl-[1,2,4]triazolo[4,3-a]quinazolin-5-amine (CID 156557611) is N-methyl-8-(methylaminomethyl)-N-phenyl-[1,2,4]triazolo[4,3-a]quinazolin-5-amine.
What is the SMILES notation for N-methyl-8-(methylaminomethyl)-N-phenyl-[1,2,4]triazolo[4,3-a]quinazolin-5-amine?
The canonical SMILES for N-methyl-8-(methylaminomethyl)-N-phenyl-[1,2,4]triazolo[4,3-a]quinazolin-5-amine is CNCc1ccc2c(N(C)c3ccccc3)nc3nncn3c2c1.
What is the InChIKey of N-methyl-8-(methylaminomethyl)-N-phenyl-[1,2,4]triazolo[4,3-a]quinazolin-5-amine?
The InChIKey is AVODMWUIBFVHJR-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H18N6/c1-19-11-13-8-9-15-16(10-13)24-12-20-22-18(24)21-17(15)23(2)14-6-4-3-5-7-14/h3-10,12,19H,11H2,1-2H3.
What are the key properties of N-methyl-8-(methylaminomethyl)-N-phenyl-[1,2,4]triazolo[4,3-a]quinazolin-5-amine?
N-methyl-8-(methylaminomethyl)-N-phenyl-[1,2,4]triazolo[4,3-a]quinazolin-5-amine has a molecular weight of 318.38 g/mol, XLogP of 2.76, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-8-(methylaminomethyl)-N-phenyl-[1,2,4]triazolo[4,3-a]quinazolin-5-amine is sourced from PubChem (CID 156557611), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).