6-(4-methylquinazolin-6-yl)-5-phenyl-1,2,4-triazin-3-amine

C18H14N6 — CID 135234262

IUPAC6-(4-methylquinazolin-6-yl)-5-phenyl-1,2,4-triazin-3-amine
SMILESCc1ncnc2ccc(-c3nnc(N)nc3-c3ccccc3)cc12
InChIInChI=1S/C18H14N6/c1-11-14-9-13(7-8-15(14)21-10-20-11)17-16(22-18(19)24-23-17)12-5-3-2-4-6-12/h2-10H,1H3,(H2,19,22,24)
InChIKeyICIPSQUUXWJHKX-UHFFFAOYSA-N
MW314.35 g/mol
LogP3.04
Rot. Bonds2

About 6-(4-methylquinazolin-6-yl)-5-phenyl-1,2,4-triazin-3-amine

6-(4-methylquinazolin-6-yl)-5-phenyl-1,2,4-triazin-3-amine (PubChem CID 135234262) has the molecular formula C18H14N6 and a molecular weight of 314.35 g/mol. Its IUPAC name is 6-(4-methylquinazolin-6-yl)-5-phenyl-1,2,4-triazin-3-amine.

Molecular Properties

Compound Name6-(4-methylquinazolin-6-yl)-5-phenyl-1,2,4-triazin-3-amine
PubChem CID135234262
Molecular FormulaC18H14N6
Molecular Weight314.35 g/mol
Exact Mass314.13
IUPAC Name6-(4-methylquinazolin-6-yl)-5-phenyl-1,2,4-triazin-3-amine
SMILESCc1ncnc2ccc(-c3nnc(N)nc3-c3ccccc3)cc12
InChIInChI=1S/C18H14N6/c1-11-14-9-13(7-8-15(14)21-10-20-11)17-16(22-18(19)24-23-17)12-5-3-2-4-6-12/h2-10H,1H3,(H2,19,22,24)
InChIKeyICIPSQUUXWJHKX-UHFFFAOYSA-N
XLogP3.04
TPSA90.47 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500314.35
LogP ≤ 53.04
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 6-(4-methylquinazolin-6-yl)-5-phenyl-1,2,4-triazin-3-amine?
The IUPAC name of 6-(4-methylquinazolin-6-yl)-5-phenyl-1,2,4-triazin-3-amine (CID 135234262) is 6-(4-methylquinazolin-6-yl)-5-phenyl-1,2,4-triazin-3-amine.
What is the SMILES notation for 6-(4-methylquinazolin-6-yl)-5-phenyl-1,2,4-triazin-3-amine?
The canonical SMILES for 6-(4-methylquinazolin-6-yl)-5-phenyl-1,2,4-triazin-3-amine is Cc1ncnc2ccc(-c3nnc(N)nc3-c3ccccc3)cc12.
What is the InChIKey of 6-(4-methylquinazolin-6-yl)-5-phenyl-1,2,4-triazin-3-amine?
The InChIKey is ICIPSQUUXWJHKX-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H14N6/c1-11-14-9-13(7-8-15(14)21-10-20-11)17-16(22-18(19)24-23-17)12-5-3-2-4-6-12/h2-10H,1H3,(H2,19,22,24).
What are the key properties of 6-(4-methylquinazolin-6-yl)-5-phenyl-1,2,4-triazin-3-amine?
6-(4-methylquinazolin-6-yl)-5-phenyl-1,2,4-triazin-3-amine has a molecular weight of 314.35 g/mol, XLogP of 3.04, 2 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(4-methylquinazolin-6-yl)-5-phenyl-1,2,4-triazin-3-amine is sourced from PubChem (CID 135234262), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).