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

C13H13ClFN5O — CID 86804730

IUPAC1-(3-chloro-5-fluorophenyl)-3-(5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridin-6-yl)urea
SMILESO=C(Nc1cc(F)cc(Cl)c1)NC1CCc2ncnn2C1
InChIInChI=1S/C13H13ClFN5O/c14-8-3-9(15)5-11(4-8)19-13(21)18-10-1-2-12-16-7-17-20(12)6-10/h3-5,7,10H,1-2,6H2,(H2,18,19,21)
InChIKeyABYIVAJSZBCAPG-UHFFFAOYSA-N
MW309.73 g/mol
LogP2.21
Rot. Bonds2

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

1-(3-chloro-5-fluorophenyl)-3-(5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridin-6-yl)urea (PubChem CID 86804730) has the molecular formula C13H13ClFN5O and a molecular weight of 309.73 g/mol. Its IUPAC name is 1-(3-chloro-5-fluorophenyl)-3-(5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridin-6-yl)urea.

Molecular Properties

Compound Name1-(3-chloro-5-fluorophenyl)-3-(5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridin-6-yl)urea
PubChem CID86804730
Molecular FormulaC13H13ClFN5O
Molecular Weight309.73 g/mol
Exact Mass309.08
IUPAC Name1-(3-chloro-5-fluorophenyl)-3-(5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridin-6-yl)urea
SMILESO=C(Nc1cc(F)cc(Cl)c1)NC1CCc2ncnn2C1
InChIInChI=1S/C13H13ClFN5O/c14-8-3-9(15)5-11(4-8)19-13(21)18-10-1-2-12-16-7-17-20(12)6-10/h3-5,7,10H,1-2,6H2,(H2,18,19,21)
InChIKeyABYIVAJSZBCAPG-UHFFFAOYSA-N
XLogP2.21
TPSA71.84 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500309.73
LogP ≤ 52.21
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

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-(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-[5-(difluoromethyl)-1,3,4-thiadiazol-2-yl]-3-[(6S)-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridin-6-yl]urea
CID 99631296
1-(5-fluoro-2-pyrazol-1-ylphenyl)-3-(5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridin-6-yl)urea
CID 86804711
1-(2-fluoro-6-methoxyphenyl)-3-(5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridin-6-yl)urea
CID 119034653
4-[(3-chloro-5-fluorophenyl)carbamoylamino]cyclohexane-1-carboxylic acid
CID 107368708
1-(5-methyl-2-pyridinyl)-3-(5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridin-6-yl)urea
CID 86804769
1-(2-propan-2-ylindazol-5-yl)-3-[(6R)-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridin-6-yl]urea
CID 99632776
1-[4-(4-methylpyrimidin-2-yl)phenyl]-3-[(6S)-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridin-6-yl]urea
CID 99581775
3-[(3-chloro-5-fluorophenyl)carbamoylamino]cyclopentane-1-carboxylic acid
CID 107368735
1-[(6-fluoro-4H-1,3-benzodioxin-8-yl)methyl]-3-[(6R)-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridin-6-yl]urea
CID 124606630
1-[(S)-(3-chlorophenyl)-cyclopentylmethyl]-3-[(6R)-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridin-6-yl]urea
CID 170579337

Frequently Asked Questions

What is the IUPAC name of 1-(3-chloro-5-fluorophenyl)-3-(5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridin-6-yl)urea?
The IUPAC name of 1-(3-chloro-5-fluorophenyl)-3-(5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridin-6-yl)urea (CID 86804730) is 1-(3-chloro-5-fluorophenyl)-3-(5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridin-6-yl)urea.
What is the SMILES notation for 1-(3-chloro-5-fluorophenyl)-3-(5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridin-6-yl)urea?
The canonical SMILES for 1-(3-chloro-5-fluorophenyl)-3-(5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridin-6-yl)urea is O=C(Nc1cc(F)cc(Cl)c1)NC1CCc2ncnn2C1.
What is the InChIKey of 1-(3-chloro-5-fluorophenyl)-3-(5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridin-6-yl)urea?
The InChIKey is ABYIVAJSZBCAPG-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H13ClFN5O/c14-8-3-9(15)5-11(4-8)19-13(21)18-10-1-2-12-16-7-17-20(12)6-10/h3-5,7,10H,1-2,6H2,(H2,18,19,21).
What are the key properties of 1-(3-chloro-5-fluorophenyl)-3-(5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridin-6-yl)urea?
1-(3-chloro-5-fluorophenyl)-3-(5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridin-6-yl)urea has a molecular weight of 309.73 g/mol, XLogP of 2.21, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-chloro-5-fluorophenyl)-3-(5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridin-6-yl)urea is sourced from PubChem (CID 86804730), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).