N-[[3-(4-methoxyphenyl)-1H-1,2,4-triazol-5-yl]methyl]-1-(7-methylimidazo[1,2-a]pyridin-3-yl)methanamine

C19H20N6O — CID 75378291

IUPACN-[[3-(4-methoxyphenyl)-1H-1,2,4-triazol-5-yl]methyl]-1-(7-methylimidazo[1,2-a]pyridin-3-yl)methanamine
SMILESCOc1ccc(-c2n[nH]c(CNCc3cnc4cc(C)ccn34)n2)cc1
InChIInChI=1S/C19H20N6O/c1-13-7-8-25-15(11-21-18(25)9-13)10-20-12-17-22-19(24-23-17)14-3-5-16(26-2)6-4-14/h3-9,11,20H,10,12H2,1-2H3,(H,22,23,24)
InChIKeyDBJYLUKHIGQSRX-UHFFFAOYSA-N
MW348.41 g/mol
LogP2.73
Rot. Bonds6

About N-[[3-(4-methoxyphenyl)-1H-1,2,4-triazol-5-yl]methyl]-1-(7-methylimidazo[1,2-a]pyridin-3-yl)methanamine

N-[[3-(4-methoxyphenyl)-1H-1,2,4-triazol-5-yl]methyl]-1-(7-methylimidazo[1,2-a]pyridin-3-yl)methanamine (PubChem CID 75378291) has the molecular formula C19H20N6O and a molecular weight of 348.41 g/mol. Its IUPAC name is N-[[3-(4-methoxyphenyl)-1H-1,2,4-triazol-5-yl]methyl]-1-(7-methylimidazo[1,2-a]pyridin-3-yl)methanamine.

Molecular Properties

Compound NameN-[[3-(4-methoxyphenyl)-1H-1,2,4-triazol-5-yl]methyl]-1-(7-methylimidazo[1,2-a]pyridin-3-yl)methanamine
PubChem CID75378291
Molecular FormulaC19H20N6O
Molecular Weight348.41 g/mol
Exact Mass348.17
IUPAC NameN-[[3-(4-methoxyphenyl)-1H-1,2,4-triazol-5-yl]methyl]-1-(7-methylimidazo[1,2-a]pyridin-3-yl)methanamine
SMILESCOc1ccc(-c2n[nH]c(CNCc3cnc4cc(C)ccn34)n2)cc1
InChIInChI=1S/C19H20N6O/c1-13-7-8-25-15(11-21-18(25)9-13)10-20-12-17-22-19(24-23-17)14-3-5-16(26-2)6-4-14/h3-9,11,20H,10,12H2,1-2H3,(H,22,23,24)
InChIKeyDBJYLUKHIGQSRX-UHFFFAOYSA-N
XLogP2.73
TPSA80.13 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500348.41
LogP ≤ 52.73
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

2-[2-methoxy-4-[[(7-methylimidazo[1,2-a]pyridin-3-yl)methylamino]methyl]phenoxy]ethanol
CID 111466382
N-methyl-1-(7-methylimidazo[1,2-a]pyridin-3-yl)methanamine
CID 55264135
4-methoxy-N-[[3-(4-methoxyphenyl)-1H-1,2,4-triazol-5-yl]methyl]aniline
CID 43840001
N-[[3-(4-methoxyphenyl)-1H-1,2,4-triazol-5-yl]methyl]-2,6-dimethylquinoline-4-carboxamide
CID 56524273
3-(4-methoxyphenyl)-7-methylimidazo[1,5-a]pyridine
CID 117144790
N-[(7-methylimidazo[1,2-a]pyridin-3-yl)methyl]butan-2-amine
CID 115651305
2-[(2,4-dimethylphenyl)methyl]-1-ethyl-3-[[3-(4-methoxyphenyl)-1H-1,2,4-triazol-5-yl]methyl]guanidine
CID 111937893
3-bromo-2-hydroxy-N-[[3-(4-methoxyphenyl)-1H-1,2,4-triazol-5-yl]methyl]-5-methylbenzamide
CID 56527807
(2S)-2-methyl-2-[(7-methylimidazo[1,2-a]pyridin-3-yl)methylamino]pentan-1-ol
CID 96524708
2-methyl-2-[(7-methylimidazo[1,2-a]pyridin-3-yl)methylamino]pentan-1-ol
CID 71864693
2-[3-(4-methoxyphenyl)-1H-1,2,4-triazol-5-yl]acetonitrile
CID 50877471
3-(ethylsulfanylmethyl)-7-methylimidazo[1,2-a]pyridine
CID 511741

Frequently Asked Questions

What is the IUPAC name of N-[[3-(4-methoxyphenyl)-1H-1,2,4-triazol-5-yl]methyl]-1-(7-methylimidazo[1,2-a]pyridin-3-yl)methanamine?
The IUPAC name of N-[[3-(4-methoxyphenyl)-1H-1,2,4-triazol-5-yl]methyl]-1-(7-methylimidazo[1,2-a]pyridin-3-yl)methanamine (CID 75378291) is N-[[3-(4-methoxyphenyl)-1H-1,2,4-triazol-5-yl]methyl]-1-(7-methylimidazo[1,2-a]pyridin-3-yl)methanamine.
What is the SMILES notation for N-[[3-(4-methoxyphenyl)-1H-1,2,4-triazol-5-yl]methyl]-1-(7-methylimidazo[1,2-a]pyridin-3-yl)methanamine?
The canonical SMILES for N-[[3-(4-methoxyphenyl)-1H-1,2,4-triazol-5-yl]methyl]-1-(7-methylimidazo[1,2-a]pyridin-3-yl)methanamine is COc1ccc(-c2n[nH]c(CNCc3cnc4cc(C)ccn34)n2)cc1.
What is the InChIKey of N-[[3-(4-methoxyphenyl)-1H-1,2,4-triazol-5-yl]methyl]-1-(7-methylimidazo[1,2-a]pyridin-3-yl)methanamine?
The InChIKey is DBJYLUKHIGQSRX-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H20N6O/c1-13-7-8-25-15(11-21-18(25)9-13)10-20-12-17-22-19(24-23-17)14-3-5-16(26-2)6-4-14/h3-9,11,20H,10,12H2,1-2H3,(H,22,23,24).
What are the key properties of N-[[3-(4-methoxyphenyl)-1H-1,2,4-triazol-5-yl]methyl]-1-(7-methylimidazo[1,2-a]pyridin-3-yl)methanamine?
N-[[3-(4-methoxyphenyl)-1H-1,2,4-triazol-5-yl]methyl]-1-(7-methylimidazo[1,2-a]pyridin-3-yl)methanamine has a molecular weight of 348.41 g/mol, XLogP of 2.73, 6 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[3-(4-methoxyphenyl)-1H-1,2,4-triazol-5-yl]methyl]-1-(7-methylimidazo[1,2-a]pyridin-3-yl)methanamine is sourced from PubChem (CID 75378291), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).