7-[1-[(3,4-dimethoxyphenyl)methyl]-4-methylpyrazol-3-yl]oxy-5-methyl-[1,2,4]triazolo[1,5-a]pyrimidine

C19H20N6O3 — CID 3401798

IUPAC7-[1-[(3,4-dimethoxyphenyl)methyl]-4-methylpyrazol-3-yl]oxy-5-methyl-[1,2,4]triazolo[1,5-a]pyrimidine
SMILESCOc1ccc(Cn2cc(C)c(Oc3cc(C)nc4ncnn34)n2)cc1OC
InChIInChI=1S/C19H20N6O3/c1-12-9-24(10-14-5-6-15(26-3)16(8-14)27-4)23-18(12)28-17-7-13(2)22-19-20-11-21-25(17)19/h5-9,11H,10H2,1-4H3
InChIKeyWAUQLBFDMGDRDN-UHFFFAOYSA-N
MW380.41 g/mol
LogP2.80
Rot. Bonds6

About 7-[1-[(3,4-dimethoxyphenyl)methyl]-4-methylpyrazol-3-yl]oxy-5-methyl-[1,2,4]triazolo[1,5-a]pyrimidine

7-[1-[(3,4-dimethoxyphenyl)methyl]-4-methylpyrazol-3-yl]oxy-5-methyl-[1,2,4]triazolo[1,5-a]pyrimidine (PubChem CID 3401798) has the molecular formula C19H20N6O3 and a molecular weight of 380.41 g/mol. Its IUPAC name is 7-[1-[(3,4-dimethoxyphenyl)methyl]-4-methylpyrazol-3-yl]oxy-5-methyl-[1,2,4]triazolo[1,5-a]pyrimidine.

Molecular Properties

Compound Name7-[1-[(3,4-dimethoxyphenyl)methyl]-4-methylpyrazol-3-yl]oxy-5-methyl-[1,2,4]triazolo[1,5-a]pyrimidine
PubChem CID3401798
Molecular FormulaC19H20N6O3
Molecular Weight380.41 g/mol
Exact Mass380.16
IUPAC Name7-[1-[(3,4-dimethoxyphenyl)methyl]-4-methylpyrazol-3-yl]oxy-5-methyl-[1,2,4]triazolo[1,5-a]pyrimidine
SMILESCOc1ccc(Cn2cc(C)c(Oc3cc(C)nc4ncnn34)n2)cc1OC
InChIInChI=1S/C19H20N6O3/c1-12-9-24(10-14-5-6-15(26-3)16(8-14)27-4)23-18(12)28-17-7-13(2)22-19-20-11-21-25(17)19/h5-9,11H,10H2,1-4H3
InChIKeyWAUQLBFDMGDRDN-UHFFFAOYSA-N
XLogP2.80
TPSA88.59 Ų
H-Bond Donors
H-Bond Acceptors9
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500380.41
LogP ≤ 52.80
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 109

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Related Compounds

7-(2,4-dichlorophenoxy)-5-methyl-[1,2,4]triazolo[1,5-a]pyrimidine
CID 18100702
[2-chloro-6-[(5-methyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl)oxy]phenyl]methanamine
CID 114323804
4-bromo-1-[(3,4-dimethoxyphenyl)methyl]pyrazol-3-amine
CID 61175429
1-[(3,4-dimethoxyphenyl)methyl]-1,2,4-triazole-3-carbothioamide
CID 62950166
4-amino-1-[(3,4-dimethoxyphenyl)methyl]pyrazole-3-carboxamide
CID 107345092
2-[2-[(5-methyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl)oxy]ethyl]aniline
CID 102902975
2-methyl-1-[(5-methyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl)oxy]butan-2-amine
CID 64571504
1-(2,4-dimethylphenyl)-4-[(5-methyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl)oxy]pyrazolo[5,4-d]pyrimidine
CID 8540585
7-[4-[(4-methoxyphenyl)methyl]-1,4-diazepan-1-yl]-5-methyl-[1,2,4]triazolo[1,5-a]pyrimidine
CID 18133135
2-fluoro-6-[(5-methyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl)oxy]benzoic acid
CID 107016331
2-[2-methoxy-4-(pyrrolidin-1-ylmethyl)phenoxy]-3-methylquinoline
CID 56722322
2-[[4-[(3,4-dimethoxyphenyl)methyl]piperazin-1-yl]methyl]-7-methyl-[1,3,4]thiadiazolo[3,2-a]pyrimidin-5-one
CID 8872410

Frequently Asked Questions

What is the IUPAC name of 7-[1-[(3,4-dimethoxyphenyl)methyl]-4-methylpyrazol-3-yl]oxy-5-methyl-[1,2,4]triazolo[1,5-a]pyrimidine?
The IUPAC name of 7-[1-[(3,4-dimethoxyphenyl)methyl]-4-methylpyrazol-3-yl]oxy-5-methyl-[1,2,4]triazolo[1,5-a]pyrimidine (CID 3401798) is 7-[1-[(3,4-dimethoxyphenyl)methyl]-4-methylpyrazol-3-yl]oxy-5-methyl-[1,2,4]triazolo[1,5-a]pyrimidine.
What is the SMILES notation for 7-[1-[(3,4-dimethoxyphenyl)methyl]-4-methylpyrazol-3-yl]oxy-5-methyl-[1,2,4]triazolo[1,5-a]pyrimidine?
The canonical SMILES for 7-[1-[(3,4-dimethoxyphenyl)methyl]-4-methylpyrazol-3-yl]oxy-5-methyl-[1,2,4]triazolo[1,5-a]pyrimidine is COc1ccc(Cn2cc(C)c(Oc3cc(C)nc4ncnn34)n2)cc1OC.
What is the InChIKey of 7-[1-[(3,4-dimethoxyphenyl)methyl]-4-methylpyrazol-3-yl]oxy-5-methyl-[1,2,4]triazolo[1,5-a]pyrimidine?
The InChIKey is WAUQLBFDMGDRDN-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H20N6O3/c1-12-9-24(10-14-5-6-15(26-3)16(8-14)27-4)23-18(12)28-17-7-13(2)22-19-20-11-21-25(17)19/h5-9,11H,10H2,1-4H3.
What are the key properties of 7-[1-[(3,4-dimethoxyphenyl)methyl]-4-methylpyrazol-3-yl]oxy-5-methyl-[1,2,4]triazolo[1,5-a]pyrimidine?
7-[1-[(3,4-dimethoxyphenyl)methyl]-4-methylpyrazol-3-yl]oxy-5-methyl-[1,2,4]triazolo[1,5-a]pyrimidine has a molecular weight of 380.41 g/mol, XLogP of 2.80, 6 rotatable bonds, 0 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for 7-[1-[(3,4-dimethoxyphenyl)methyl]-4-methylpyrazol-3-yl]oxy-5-methyl-[1,2,4]triazolo[1,5-a]pyrimidine is sourced from PubChem (CID 3401798), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).