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

C20H21N5O2 — CID 91906815

IUPAC1-(2-methoxyphenyl)-3-[3-(5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridin-3-yl)phenyl]urea
SMILESCOc1ccccc1NC(=O)Nc1cccc(-c2nnc3n2CCCC3)c1
InChIInChI=1S/C20H21N5O2/c1-27-17-10-3-2-9-16(17)22-20(26)21-15-8-6-7-14(13-15)19-24-23-18-11-4-5-12-25(18)19/h2-3,6-10,13H,4-5,11-12H2,1H3,(H2,21,22,26)
InChIKeyMPKUZMDKEOQUKZ-UHFFFAOYSA-N
MW363.42 g/mol
LogP3.93
Rot. Bonds4

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

1-(2-methoxyphenyl)-3-[3-(5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridin-3-yl)phenyl]urea (PubChem CID 91906815) has the molecular formula C20H21N5O2 and a molecular weight of 363.42 g/mol. Its IUPAC name is 1-(2-methoxyphenyl)-3-[3-(5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridin-3-yl)phenyl]urea.

Molecular Properties

Compound Name1-(2-methoxyphenyl)-3-[3-(5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridin-3-yl)phenyl]urea
PubChem CID91906815
Molecular FormulaC20H21N5O2
Molecular Weight363.42 g/mol
Exact Mass363.17
IUPAC Name1-(2-methoxyphenyl)-3-[3-(5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridin-3-yl)phenyl]urea
SMILESCOc1ccccc1NC(=O)Nc1cccc(-c2nnc3n2CCCC3)c1
InChIInChI=1S/C20H21N5O2/c1-27-17-10-3-2-9-16(17)22-20(26)21-15-8-6-7-14(13-15)19-24-23-18-11-4-5-12-25(18)19/h2-3,6-10,13H,4-5,11-12H2,1H3,(H2,21,22,26)
InChIKeyMPKUZMDKEOQUKZ-UHFFFAOYSA-N
XLogP3.93
TPSA81.07 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500363.42
LogP ≤ 53.93
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 1-(2-methoxyphenyl)-3-[3-(5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridin-3-yl)phenyl]urea?
The IUPAC name of 1-(2-methoxyphenyl)-3-[3-(5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridin-3-yl)phenyl]urea (CID 91906815) is 1-(2-methoxyphenyl)-3-[3-(5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridin-3-yl)phenyl]urea.
What is the SMILES notation for 1-(2-methoxyphenyl)-3-[3-(5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridin-3-yl)phenyl]urea?
The canonical SMILES for 1-(2-methoxyphenyl)-3-[3-(5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridin-3-yl)phenyl]urea is COc1ccccc1NC(=O)Nc1cccc(-c2nnc3n2CCCC3)c1.
What is the InChIKey of 1-(2-methoxyphenyl)-3-[3-(5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridin-3-yl)phenyl]urea?
The InChIKey is MPKUZMDKEOQUKZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H21N5O2/c1-27-17-10-3-2-9-16(17)22-20(26)21-15-8-6-7-14(13-15)19-24-23-18-11-4-5-12-25(18)19/h2-3,6-10,13H,4-5,11-12H2,1H3,(H2,21,22,26).
What are the key properties of 1-(2-methoxyphenyl)-3-[3-(5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridin-3-yl)phenyl]urea?
1-(2-methoxyphenyl)-3-[3-(5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridin-3-yl)phenyl]urea has a molecular weight of 363.42 g/mol, XLogP of 3.93, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-methoxyphenyl)-3-[3-(5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridin-3-yl)phenyl]urea is sourced from PubChem (CID 91906815), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).