1-methyl-2-[(4-phenyl-1,5-dihydro-1,2,4-triazol-3-yl)methyl]imidazo[4,5-b]pyridine

C16H16N6 — CID 95931759

IUPAC1-methyl-2-[(4-phenyl-1,5-dihydro-1,2,4-triazol-3-yl)methyl]imidazo[4,5-b]pyridine
SMILESCn1c(CC2=NNCN2c2ccccc2)nc2ncccc21
InChIInChI=1S/C16H16N6/c1-21-13-8-5-9-17-16(13)19-14(21)10-15-20-18-11-22(15)12-6-3-2-4-7-12/h2-9,18H,10-11H2,1H3
InChIKeyWEELKSTVCOYWLR-UHFFFAOYSA-N
MW292.35 g/mol
LogP1.89
Rot. Bonds3

About 1-methyl-2-[(4-phenyl-1,5-dihydro-1,2,4-triazol-3-yl)methyl]imidazo[4,5-b]pyridine

1-methyl-2-[(4-phenyl-1,5-dihydro-1,2,4-triazol-3-yl)methyl]imidazo[4,5-b]pyridine (PubChem CID 95931759) has the molecular formula C16H16N6 and a molecular weight of 292.35 g/mol. Its IUPAC name is 1-methyl-2-[(4-phenyl-1,5-dihydro-1,2,4-triazol-3-yl)methyl]imidazo[4,5-b]pyridine.

Molecular Properties

Compound Name1-methyl-2-[(4-phenyl-1,5-dihydro-1,2,4-triazol-3-yl)methyl]imidazo[4,5-b]pyridine
PubChem CID95931759
Molecular FormulaC16H16N6
Molecular Weight292.35 g/mol
Exact Mass292.14
IUPAC Name1-methyl-2-[(4-phenyl-1,5-dihydro-1,2,4-triazol-3-yl)methyl]imidazo[4,5-b]pyridine
SMILESCn1c(CC2=NNCN2c2ccccc2)nc2ncccc21
InChIInChI=1S/C16H16N6/c1-21-13-8-5-9-17-16(13)19-14(21)10-15-20-18-11-22(15)12-6-3-2-4-7-12/h2-9,18H,10-11H2,1H3
InChIKeyWEELKSTVCOYWLR-UHFFFAOYSA-N
XLogP1.89
TPSA58.34 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.35
LogP ≤ 51.89
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze 1-methyl-2-[(4-phenyl-1,5-dihydro-1,2,4-triazol-3-yl)methyl]imidazo[4,5-b]pyridine with MolForge

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Related Compounds

4-(1-methylimidazo[4,5-b]pyridin-2-yl)aniline
CID 114113127
2-[[4-(2-methoxyphenyl)-3-methylpiperidin-1-yl]methyl]-1-methylimidazo[4,5-b]pyridine
CID 25008792
1-benzyl-2-methylimidazo[4,5-b]pyridine
CID 151866013
2-[[4-(4-methoxyphenyl)piperidin-1-yl]methyl]-1-methylimidazo[4,5-b]pyridine
CID 25009298
4-methyl-5-(1-methylimidazo[4,5-b]pyridin-2-yl)-1,3-thiazol-2-amine
CID 114113082
1-methyl-2-(4-methylpiperidin-2-yl)imidazo[4,5-b]pyridine
CID 114113135
1-phenyl-2,3-dihydroimidazo[4,5-b]pyridine
CID 139666855
2-(1-propan-2-ylimidazo[4,5-b]pyridin-2-yl)acetonitrile
CID 112710780
N'-[2-(diethylamino)ethyl]-N,N-diethyl-N'-[2-(1-methylimidazo[4,5-b]pyridin-2-yl)phenyl]ethane-1,2-diamine
CID 18621426
1-[(1-benzylimidazo[4,5-b]pyridin-2-yl)methyl]piperazin-2-one
CID 71731166
3-methyl-1-phenylpyrazolo[4,5-b]pyridine
CID 76847108
2-(azocan-2-yl)-1-methylimidazo[4,5-b]pyridine
CID 114239785

Frequently Asked Questions

What is the IUPAC name of 1-methyl-2-[(4-phenyl-1,5-dihydro-1,2,4-triazol-3-yl)methyl]imidazo[4,5-b]pyridine?
The IUPAC name of 1-methyl-2-[(4-phenyl-1,5-dihydro-1,2,4-triazol-3-yl)methyl]imidazo[4,5-b]pyridine (CID 95931759) is 1-methyl-2-[(4-phenyl-1,5-dihydro-1,2,4-triazol-3-yl)methyl]imidazo[4,5-b]pyridine.
What is the SMILES notation for 1-methyl-2-[(4-phenyl-1,5-dihydro-1,2,4-triazol-3-yl)methyl]imidazo[4,5-b]pyridine?
The canonical SMILES for 1-methyl-2-[(4-phenyl-1,5-dihydro-1,2,4-triazol-3-yl)methyl]imidazo[4,5-b]pyridine is Cn1c(CC2=NNCN2c2ccccc2)nc2ncccc21.
What is the InChIKey of 1-methyl-2-[(4-phenyl-1,5-dihydro-1,2,4-triazol-3-yl)methyl]imidazo[4,5-b]pyridine?
The InChIKey is WEELKSTVCOYWLR-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H16N6/c1-21-13-8-5-9-17-16(13)19-14(21)10-15-20-18-11-22(15)12-6-3-2-4-7-12/h2-9,18H,10-11H2,1H3.
What are the key properties of 1-methyl-2-[(4-phenyl-1,5-dihydro-1,2,4-triazol-3-yl)methyl]imidazo[4,5-b]pyridine?
1-methyl-2-[(4-phenyl-1,5-dihydro-1,2,4-triazol-3-yl)methyl]imidazo[4,5-b]pyridine has a molecular weight of 292.35 g/mol, XLogP of 1.89, 3 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methyl-2-[(4-phenyl-1,5-dihydro-1,2,4-triazol-3-yl)methyl]imidazo[4,5-b]pyridine is sourced from PubChem (CID 95931759), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).