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

C15H17F2N5O — CID 71972145

IUPAC1-(2,3-difluorophenyl)-3-(2-ethyl-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridin-8-yl)urea
SMILESCCc1nc2n(n1)CCCC2NC(=O)Nc1cccc(F)c1F
InChIInChI=1S/C15H17F2N5O/c1-2-12-20-14-11(7-4-8-22(14)21-12)19-15(23)18-10-6-3-5-9(16)13(10)17/h3,5-6,11H,2,4,7-8H2,1H3,(H2,18,19,23)
InChIKeyYQVJSNAGQOPEMQ-UHFFFAOYSA-N
MW321.33 g/mol
LogP2.78
Rot. Bonds3

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

1-(2,3-difluorophenyl)-3-(2-ethyl-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridin-8-yl)urea (PubChem CID 71972145) has the molecular formula C15H17F2N5O and a molecular weight of 321.33 g/mol. Its IUPAC name is 1-(2,3-difluorophenyl)-3-(2-ethyl-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridin-8-yl)urea.

Molecular Properties

Compound Name1-(2,3-difluorophenyl)-3-(2-ethyl-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridin-8-yl)urea
PubChem CID71972145
Molecular FormulaC15H17F2N5O
Molecular Weight321.33 g/mol
Exact Mass321.14
IUPAC Name1-(2,3-difluorophenyl)-3-(2-ethyl-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridin-8-yl)urea
SMILESCCc1nc2n(n1)CCCC2NC(=O)Nc1cccc(F)c1F
InChIInChI=1S/C15H17F2N5O/c1-2-12-20-14-11(7-4-8-22(14)21-12)19-15(23)18-10-6-3-5-9(16)13(10)17/h3,5-6,11H,2,4,7-8H2,1H3,(H2,18,19,23)
InChIKeyYQVJSNAGQOPEMQ-UHFFFAOYSA-N
XLogP2.78
TPSA71.84 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500321.33
LogP ≤ 52.78
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

1-[3-[(1S,5R)-3-(3-isopropyl-5-methyl-1,2,4-triazol-4-yl)-8-azabicyclo[3.2.1]octan-8-yl]propyl]-1-phenyl-3-propyl-urea
CID 44455177
3-isopropyl-1-[3-[(1S,5R)-3-(3-isopropyl-5-methyl-1,2,4-triazol-4-yl)-8-azabicyclo[3.2.1]octan-8-yl]propyl]-1-phenyl-urea
CID 44455143
1-[3-[5-Cyclopropyl-4-(4-fluorophenyl)-1,2,4-triazol-3-yl]propyl]-3-(4-fluorocyclohexyl)urea
CID 156017541
3-[1-[1-(1-butyltetrazol-5-yl)propyl]piperidin-4-yl]-1H-benzimidazol-2-one
CID 51360383
1-[1-(1-Cyclohexyl-1H-tetrazol-5-ylmethyl)-piperidin-4-yl]-3-phenyl-urea
CID 647359
1-[1-[(1-Tert-butyltetrazol-5-yl)methyl]piperidin-4-yl]-3-(4-fluorophenyl)urea
CID 1445081
3-(4-fluorophenyl)-1-phenyl-1-(6,7,8,9-tetrahydro-5H-[1,2,4]triazolo[4,3-a]azepin-3-ylmethyl)urea
CID 2370198
1-(2-Fluorophenyl)-3-[(4-methyl-5-methylsulfanyl-1,2,4-triazol-3-yl)methyl]urea
CID 6489528
1-(tert-butyl)-3-((1-(3,4-difluorophenyl)-1H-tetrazol-5-yl)methyl)urea
CID 18566072
4-([1,2,4]triazolo[4,3-b]pyridazin-6-yl)-N-(4-fluorophenyl)piperazine-1-carboxamide
CID 20878032
4-([1,2,4]triazolo[4,3-b]pyridazin-6-yl)-N-(2,4-difluorophenyl)piperazine-1-carboxamide
CID 25854670
N-(3,4-difluorophenyl)-4-{[1,2,4]triazolo[4,3-b]pyridazin-6-yl}piperazine-1-carboxamide
CID 25854671

Frequently Asked Questions

What is the IUPAC name of 1-(2,3-difluorophenyl)-3-(2-ethyl-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridin-8-yl)urea?
The IUPAC name of 1-(2,3-difluorophenyl)-3-(2-ethyl-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridin-8-yl)urea (CID 71972145) is 1-(2,3-difluorophenyl)-3-(2-ethyl-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridin-8-yl)urea.
What is the SMILES notation for 1-(2,3-difluorophenyl)-3-(2-ethyl-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridin-8-yl)urea?
The canonical SMILES for 1-(2,3-difluorophenyl)-3-(2-ethyl-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridin-8-yl)urea is CCc1nc2n(n1)CCCC2NC(=O)Nc1cccc(F)c1F.
What is the InChIKey of 1-(2,3-difluorophenyl)-3-(2-ethyl-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridin-8-yl)urea?
The InChIKey is YQVJSNAGQOPEMQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H17F2N5O/c1-2-12-20-14-11(7-4-8-22(14)21-12)19-15(23)18-10-6-3-5-9(16)13(10)17/h3,5-6,11H,2,4,7-8H2,1H3,(H2,18,19,23).
What are the key properties of 1-(2,3-difluorophenyl)-3-(2-ethyl-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridin-8-yl)urea?
1-(2,3-difluorophenyl)-3-(2-ethyl-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridin-8-yl)urea has a molecular weight of 321.33 g/mol, XLogP of 2.78, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2,3-difluorophenyl)-3-(2-ethyl-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridin-8-yl)urea is sourced from PubChem (CID 71972145), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).