1-[2-[2-(diethylamino)ethoxy]phenyl]-3-(5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridin-6-yl)urea

C19H28N6O2 — CID 126788269

IUPAC1-[2-[2-(diethylamino)ethoxy]phenyl]-3-(5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridin-6-yl)urea
SMILESCCN(CC)CCOc1ccccc1NC(=O)NC1CCc2ncnn2C1
InChIInChI=1S/C19H28N6O2/c1-3-24(4-2)11-12-27-17-8-6-5-7-16(17)23-19(26)22-15-9-10-18-20-14-21-25(18)13-15/h5-8,14-15H,3-4,9-13H2,1-2H3,(H2,22,23,26)
InChIKeyTZKAGZCDBRECSO-UHFFFAOYSA-N
MW372.47 g/mol
LogP2.14
Rot. Bonds8

About 1-[2-[2-(diethylamino)ethoxy]phenyl]-3-(5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridin-6-yl)urea

1-[2-[2-(diethylamino)ethoxy]phenyl]-3-(5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridin-6-yl)urea (PubChem CID 126788269) has the molecular formula C19H28N6O2 and a molecular weight of 372.47 g/mol. Its IUPAC name is 1-[2-[2-(diethylamino)ethoxy]phenyl]-3-(5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridin-6-yl)urea.

Molecular Properties

Compound Name1-[2-[2-(diethylamino)ethoxy]phenyl]-3-(5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridin-6-yl)urea
PubChem CID126788269
Molecular FormulaC19H28N6O2
Molecular Weight372.47 g/mol
Exact Mass372.23
IUPAC Name1-[2-[2-(diethylamino)ethoxy]phenyl]-3-(5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridin-6-yl)urea
SMILESCCN(CC)CCOc1ccccc1NC(=O)NC1CCc2ncnn2C1
InChIInChI=1S/C19H28N6O2/c1-3-24(4-2)11-12-27-17-8-6-5-7-16(17)23-19(26)22-15-9-10-18-20-14-21-25(18)13-15/h5-8,14-15H,3-4,9-13H2,1-2H3,(H2,22,23,26)
InChIKeyTZKAGZCDBRECSO-UHFFFAOYSA-N
XLogP2.14
TPSA84.31 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500372.47
LogP ≤ 52.14
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

1-(2-propan-2-ylsulfanylphenyl)-3-(5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridin-6-yl)urea
CID 86800724
1-[2-methyl-3-(propan-2-yloxymethyl)phenyl]-3-[(6R)-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridin-6-yl]urea
CID 99632749
1-[2-(2-propan-2-ylphenoxy)ethyl]-3-[(6S)-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridin-6-yl]urea
CID 124559557
1-(2-fluoro-6-methoxyphenyl)-3-(5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridin-6-yl)urea
CID 119034653
1-(5-methyl-2-pyridinyl)-3-(5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridin-6-yl)urea
CID 86804769
2-(2-phenylmethoxyphenoxy)-N-(5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridin-6-yl)acetamide
CID 126767732
1-[(6R)-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridin-6-yl]-3-(2,4,5-trifluorophenyl)urea
CID 99631930
1-(3-phenyl-1,2-thiazol-4-yl)-3-(5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridin-6-yl)urea
CID 126831651
1-(2-fluoro-5-methoxyphenyl)-3-[(6S)-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridin-6-yl]urea
CID 99633384
1-[2-[2-(dimethylamino)ethoxy]-4-methylphenyl]-3-(2-ethyl-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridin-6-yl)urea
CID 126792257
1-[1-(2-chlorophenyl)-2-methylpropan-2-yl]-3-[(6S)-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridin-6-yl]urea
CID 124559551
1-cyclohexyl-3-(2-propoxyphenyl)urea
CID 47103328

Frequently Asked Questions

What is the IUPAC name of 1-[2-[2-(diethylamino)ethoxy]phenyl]-3-(5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridin-6-yl)urea?
The IUPAC name of 1-[2-[2-(diethylamino)ethoxy]phenyl]-3-(5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridin-6-yl)urea (CID 126788269) is 1-[2-[2-(diethylamino)ethoxy]phenyl]-3-(5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridin-6-yl)urea.
What is the SMILES notation for 1-[2-[2-(diethylamino)ethoxy]phenyl]-3-(5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridin-6-yl)urea?
The canonical SMILES for 1-[2-[2-(diethylamino)ethoxy]phenyl]-3-(5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridin-6-yl)urea is CCN(CC)CCOc1ccccc1NC(=O)NC1CCc2ncnn2C1.
What is the InChIKey of 1-[2-[2-(diethylamino)ethoxy]phenyl]-3-(5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridin-6-yl)urea?
The InChIKey is TZKAGZCDBRECSO-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H28N6O2/c1-3-24(4-2)11-12-27-17-8-6-5-7-16(17)23-19(26)22-15-9-10-18-20-14-21-25(18)13-15/h5-8,14-15H,3-4,9-13H2,1-2H3,(H2,22,23,26).
What are the key properties of 1-[2-[2-(diethylamino)ethoxy]phenyl]-3-(5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridin-6-yl)urea?
1-[2-[2-(diethylamino)ethoxy]phenyl]-3-(5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridin-6-yl)urea has a molecular weight of 372.47 g/mol, XLogP of 2.14, 8 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-[2-(diethylamino)ethoxy]phenyl]-3-(5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridin-6-yl)urea is sourced from PubChem (CID 126788269), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).