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

C16H13N5 — CID 156536787

IUPACN-methyl-N-phenyl-[1,2,4]triazolo[4,3-a]quinazolin-5-amine
SMILESCN(c1ccccc1)c1nc2nncn2c2ccccc12
InChIInChI=1S/C16H13N5/c1-20(12-7-3-2-4-8-12)15-13-9-5-6-10-14(13)21-11-17-19-16(21)18-15/h2-11H,1H3
InChIKeyWOWDRTRRJWRRHH-UHFFFAOYSA-N
MW275.31 g/mol
LogP3.05
Rot. Bonds2

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

N-methyl-N-phenyl-[1,2,4]triazolo[4,3-a]quinazolin-5-amine (PubChem CID 156536787) has the molecular formula C16H13N5 and a molecular weight of 275.31 g/mol. Its IUPAC name is N-methyl-N-phenyl-[1,2,4]triazolo[4,3-a]quinazolin-5-amine.

Molecular Properties

Compound NameN-methyl-N-phenyl-[1,2,4]triazolo[4,3-a]quinazolin-5-amine
PubChem CID156536787
Molecular FormulaC16H13N5
Molecular Weight275.31 g/mol
Exact Mass275.12
IUPAC NameN-methyl-N-phenyl-[1,2,4]triazolo[4,3-a]quinazolin-5-amine
SMILESCN(c1ccccc1)c1nc2nncn2c2ccccc12
InChIInChI=1S/C16H13N5/c1-20(12-7-3-2-4-8-12)15-13-9-5-6-10-14(13)21-11-17-19-16(21)18-15/h2-11H,1H3
InChIKeyWOWDRTRRJWRRHH-UHFFFAOYSA-N
XLogP3.05
TPSA46.32 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500275.31
LogP ≤ 53.05
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

N-methyl-N-pyridin-4-yl-[1,2,4]triazolo[4,3-a]quinazolin-5-amine
CID 156536634
N-(2,6-difluorophenyl)-N-methyl-[1,2,4]triazolo[4,3-a]quinazolin-5-amine
CID 156536530
N-[3-(4-methoxyphenyl)phenyl]-N-methyl-[1,2,4]triazolo[4,3-a]quinazolin-5-amine
CID 156537343
N,N-diethyl-[1,2,4]triazolo[4,3-a]quinazolin-5-amine
CID 156556841
N-methyl-N-phenyl-7-pyridin-4-yl-[1,2,4]triazolo[4,3-a]quinazolin-5-amine
CID 156536467
N-[3-(4-tert-butylphenyl)phenyl]-N-methyl-[1,2,4]triazolo[4,3-a]quinazolin-5-amine
CID 156537093
N-methyl-8-nitro-N-phenyl-[1,2,4]triazolo[4,3-a]quinazolin-5-amine
CID 156536720
N-methyl-8-(methylaminomethyl)-N-phenyl-[1,2,4]triazolo[4,3-a]quinazolin-5-amine
CID 156557611
N-methyl-N-phenyl-8-piperidin-1-yl-[1,2,4]triazolo[4,3-a]quinazolin-5-amine
CID 156537421
8-butyl-N-methyl-N-phenyl-[1,2,4]triazolo[4,3-a]quinazolin-5-amine
CID 167704368
8-(2-methoxyphenyl)-N-methyl-N-phenyl-[1,2,4]triazolo[4,3-a]quinazolin-5-amine
CID 156536911
N-methyl-N-phenyl-8-pyridin-3-yl-[1,2,4]triazolo[4,3-a]quinazolin-5-amine
CID 156536695

Frequently Asked Questions

What is the IUPAC name of N-methyl-N-phenyl-[1,2,4]triazolo[4,3-a]quinazolin-5-amine?
The IUPAC name of N-methyl-N-phenyl-[1,2,4]triazolo[4,3-a]quinazolin-5-amine (CID 156536787) is N-methyl-N-phenyl-[1,2,4]triazolo[4,3-a]quinazolin-5-amine.
What is the SMILES notation for N-methyl-N-phenyl-[1,2,4]triazolo[4,3-a]quinazolin-5-amine?
The canonical SMILES for N-methyl-N-phenyl-[1,2,4]triazolo[4,3-a]quinazolin-5-amine is CN(c1ccccc1)c1nc2nncn2c2ccccc12.
What is the InChIKey of N-methyl-N-phenyl-[1,2,4]triazolo[4,3-a]quinazolin-5-amine?
The InChIKey is WOWDRTRRJWRRHH-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H13N5/c1-20(12-7-3-2-4-8-12)15-13-9-5-6-10-14(13)21-11-17-19-16(21)18-15/h2-11H,1H3.
What are the key properties of N-methyl-N-phenyl-[1,2,4]triazolo[4,3-a]quinazolin-5-amine?
N-methyl-N-phenyl-[1,2,4]triazolo[4,3-a]quinazolin-5-amine has a molecular weight of 275.31 g/mol, XLogP of 3.05, 2 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-N-phenyl-[1,2,4]triazolo[4,3-a]quinazolin-5-amine is sourced from PubChem (CID 156536787), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).