2-methyl-N-[[4-(2-methyl-4-pyridinyl)phenyl]methyl]-5-quinolin-6-yl-1,2,4-triazol-3-amine

C25H22N6 — CID 145293382

IUPAC2-methyl-N-[[4-(2-methyl-4-pyridinyl)phenyl]methyl]-5-quinolin-6-yl-1,2,4-triazol-3-amine
SMILESCc1cc(-c2ccc(CNc3nc(-c4ccc5ncccc5c4)nn3C)cc2)ccn1
InChIInChI=1S/C25H22N6/c1-17-14-20(11-13-26-17)19-7-5-18(6-8-19)16-28-25-29-24(30-31(25)2)22-9-10-23-21(15-22)4-3-12-27-23/h3-15H,16H2,1-2H3,(H,28,29,30)
InChIKeyVQMOQRVLHAVNOW-UHFFFAOYSA-N
MW406.49 g/mol
LogP5.01
Rot. Bonds5

About 2-methyl-N-[[4-(2-methyl-4-pyridinyl)phenyl]methyl]-5-quinolin-6-yl-1,2,4-triazol-3-amine

2-methyl-N-[[4-(2-methyl-4-pyridinyl)phenyl]methyl]-5-quinolin-6-yl-1,2,4-triazol-3-amine (PubChem CID 145293382) has the molecular formula C25H22N6 and a molecular weight of 406.49 g/mol. Its IUPAC name is 2-methyl-N-[[4-(2-methyl-4-pyridinyl)phenyl]methyl]-5-quinolin-6-yl-1,2,4-triazol-3-amine.

Molecular Properties

Compound Name2-methyl-N-[[4-(2-methyl-4-pyridinyl)phenyl]methyl]-5-quinolin-6-yl-1,2,4-triazol-3-amine
PubChem CID145293382
Molecular FormulaC25H22N6
Molecular Weight406.49 g/mol
Exact Mass406.19
IUPAC Name2-methyl-N-[[4-(2-methyl-4-pyridinyl)phenyl]methyl]-5-quinolin-6-yl-1,2,4-triazol-3-amine
SMILESCc1cc(-c2ccc(CNc3nc(-c4ccc5ncccc5c4)nn3C)cc2)ccn1
InChIInChI=1S/C25H22N6/c1-17-14-20(11-13-26-17)19-7-5-18(6-8-19)16-28-25-29-24(30-31(25)2)22-9-10-23-21(15-22)4-3-12-27-23/h3-15H,16H2,1-2H3,(H,28,29,30)
InChIKeyVQMOQRVLHAVNOW-UHFFFAOYSA-N
XLogP5.01
TPSA68.52 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms31
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500406.49
LogP ≤ 55.01
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze 2-methyl-N-[[4-(2-methyl-4-pyridinyl)phenyl]methyl]-5-quinolin-6-yl-1,2,4-triazol-3-amine with MolForge

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Related Compounds

2-methyl-N-[[4-(2-methyl-4-pyridinyl)phenyl]methyl]-6-naphthalen-2-ylpyrimidin-4-amine
CID 129033195
3-fluoro-N-[(4-pyridin-4-ylphenyl)methyl]-4-quinolin-6-ylpyridin-2-amine
CID 129033216
ethane;3-fluoro-N-[[4-(2-methylpyrazol-3-yl)phenyl]methyl]-4-quinolin-6-ylpyridin-2-amine
CID 145375140
N-[[4-(2-methyl-4-pyridinyl)phenyl]methyl]-6-pyridazin-4-ylisoquinolin-1-amine
CID 71617873
5-fluoro-N-[[4-(2-methyl-4-pyridinyl)phenyl]methyl]-6-(2-methylquinolin-6-yl)pyrimidin-4-amine
CID 129033475
1-[4-(2-methyl-4-pyridinyl)phenyl]-3-(2-quinolin-6-ylethyl)urea
CID 67053039
3-fluoro-N-[[5-methoxy-6-(2-methyl-4-pyridinyl)-3-pyridinyl]methyl]-4-quinolin-6-ylpyridin-2-amine
CID 129033215
5-fluoro-6-(1-methylindol-5-yl)-N-[[4-(2-methyl-4-pyridinyl)phenyl]methyl]pyrimidin-4-amine
CID 158199629
N-[(3,4-dimethylphenyl)methyl]quinolin-6-amine
CID 62634241
N-[[5-methoxy-6-(2-methyl-4-pyridinyl)-3-pyridinyl]methyl]-5-quinolin-6-yl-1,2,4-thiadiazol-3-amine
CID 129033207
3,5-dimethyl-N-(quinolin-6-ylmethyl)aniline
CID 28776356
2,4-dimethyl-N-(quinolin-6-ylmethyl)aniline
CID 28776204

Frequently Asked Questions

What is the IUPAC name of 2-methyl-N-[[4-(2-methyl-4-pyridinyl)phenyl]methyl]-5-quinolin-6-yl-1,2,4-triazol-3-amine?
The IUPAC name of 2-methyl-N-[[4-(2-methyl-4-pyridinyl)phenyl]methyl]-5-quinolin-6-yl-1,2,4-triazol-3-amine (CID 145293382) is 2-methyl-N-[[4-(2-methyl-4-pyridinyl)phenyl]methyl]-5-quinolin-6-yl-1,2,4-triazol-3-amine.
What is the SMILES notation for 2-methyl-N-[[4-(2-methyl-4-pyridinyl)phenyl]methyl]-5-quinolin-6-yl-1,2,4-triazol-3-amine?
The canonical SMILES for 2-methyl-N-[[4-(2-methyl-4-pyridinyl)phenyl]methyl]-5-quinolin-6-yl-1,2,4-triazol-3-amine is Cc1cc(-c2ccc(CNc3nc(-c4ccc5ncccc5c4)nn3C)cc2)ccn1.
What is the InChIKey of 2-methyl-N-[[4-(2-methyl-4-pyridinyl)phenyl]methyl]-5-quinolin-6-yl-1,2,4-triazol-3-amine?
The InChIKey is VQMOQRVLHAVNOW-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H22N6/c1-17-14-20(11-13-26-17)19-7-5-18(6-8-19)16-28-25-29-24(30-31(25)2)22-9-10-23-21(15-22)4-3-12-27-23/h3-15H,16H2,1-2H3,(H,28,29,30).
What are the key properties of 2-methyl-N-[[4-(2-methyl-4-pyridinyl)phenyl]methyl]-5-quinolin-6-yl-1,2,4-triazol-3-amine?
2-methyl-N-[[4-(2-methyl-4-pyridinyl)phenyl]methyl]-5-quinolin-6-yl-1,2,4-triazol-3-amine has a molecular weight of 406.49 g/mol, XLogP of 5.01, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-N-[[4-(2-methyl-4-pyridinyl)phenyl]methyl]-5-quinolin-6-yl-1,2,4-triazol-3-amine is sourced from PubChem (CID 145293382), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).