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

C15H23F2N5O2 — CID 127683861

IUPAC1-(4,4-difluorocyclohexyl)-3-[2-(methoxymethyl)-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridin-6-yl]urea
SMILESCOCc1nc2n(n1)CC(NC(=O)NC1CCC(F)(F)CC1)CC2
InChIInChI=1S/C15H23F2N5O2/c1-24-9-12-20-13-3-2-11(8-22(13)21-12)19-14(23)18-10-4-6-15(16,17)7-5-10/h10-11H,2-9H2,1H3,(H2,18,19,23)
InChIKeyFYMWMIRUEUKQOO-UHFFFAOYSA-N
MW343.38 g/mol
LogP1.62
Rot. Bonds4

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

1-(4,4-difluorocyclohexyl)-3-[2-(methoxymethyl)-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridin-6-yl]urea (PubChem CID 127683861) has the molecular formula C15H23F2N5O2 and a molecular weight of 343.38 g/mol. Its IUPAC name is 1-(4,4-difluorocyclohexyl)-3-[2-(methoxymethyl)-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridin-6-yl]urea.

Molecular Properties

Compound Name1-(4,4-difluorocyclohexyl)-3-[2-(methoxymethyl)-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridin-6-yl]urea
PubChem CID127683861
Molecular FormulaC15H23F2N5O2
Molecular Weight343.38 g/mol
Exact Mass343.18
IUPAC Name1-(4,4-difluorocyclohexyl)-3-[2-(methoxymethyl)-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridin-6-yl]urea
SMILESCOCc1nc2n(n1)CC(NC(=O)NC1CCC(F)(F)CC1)CC2
InChIInChI=1S/C15H23F2N5O2/c1-24-9-12-20-13-3-2-11(8-22(13)21-12)19-14(23)18-10-4-6-15(16,17)7-5-10/h10-11H,2-9H2,1H3,(H2,18,19,23)
InChIKeyFYMWMIRUEUKQOO-UHFFFAOYSA-N
XLogP1.62
TPSA81.07 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500343.38
LogP ≤ 51.62
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze 1-(4,4-difluorocyclohexyl)-3-[2-(methoxymethyl)-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridin-6-yl]urea with MolForge

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Related Compounds

2-(methoxymethyl)-5H,6H,7H,8H-(1,2,4)triazolo(1,5-a)pyridin-6-amine
CID 71755965
Morpholin-4-yl-[2-(5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyrazin-3-yl)piperidin-1-yl]methanone
CID 134788532
2-(methoxymethyl)-5H,6H,7H,8H-[1,2,4]triazolo[1,5-a]pyridin-8-amine
CID 71756040
N-(3-methyl-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridin-6-yl)-2-(2,2,2-trifluoroethoxy)acetamide
CID 86772319
2-ethyl-N-(2-ethyl-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridin-6-yl)-2-methylmorpholine-4-carboxamide
CID 121516622
2-ethyl-N-[2-(2,2,2-trifluoroethoxy)ethyl]-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridin-6-amine
CID 53587747
N-[2-(2,2,2-trifluoroethoxy)ethyl]-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridin-6-amine
CID 53587805
2-propan-2-yl-N-[2-(2,2,2-trifluoroethoxy)ethyl]-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridin-6-amine
CID 53623305
1-(2-Methyl-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridin-8-yl)-3-[2-[methyl(2,2,2-trifluoroethyl)amino]ethyl]urea
CID 75377534
N-cyclohexyl-3-(trifluoromethyl)-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazine-7-carboxamide
CID 75494227
2-(Methoxymethyl)-6-(trifluoromethyl)-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridin-8-amine
CID 83965554
6-Fluoro-2-(methoxymethyl)-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridin-8-amine
CID 83965586

Frequently Asked Questions

What is the IUPAC name of 1-(4,4-difluorocyclohexyl)-3-[2-(methoxymethyl)-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridin-6-yl]urea?
The IUPAC name of 1-(4,4-difluorocyclohexyl)-3-[2-(methoxymethyl)-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridin-6-yl]urea (CID 127683861) is 1-(4,4-difluorocyclohexyl)-3-[2-(methoxymethyl)-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridin-6-yl]urea.
What is the SMILES notation for 1-(4,4-difluorocyclohexyl)-3-[2-(methoxymethyl)-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridin-6-yl]urea?
The canonical SMILES for 1-(4,4-difluorocyclohexyl)-3-[2-(methoxymethyl)-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridin-6-yl]urea is COCc1nc2n(n1)CC(NC(=O)NC1CCC(F)(F)CC1)CC2.
What is the InChIKey of 1-(4,4-difluorocyclohexyl)-3-[2-(methoxymethyl)-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridin-6-yl]urea?
The InChIKey is FYMWMIRUEUKQOO-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H23F2N5O2/c1-24-9-12-20-13-3-2-11(8-22(13)21-12)19-14(23)18-10-4-6-15(16,17)7-5-10/h10-11H,2-9H2,1H3,(H2,18,19,23).
What are the key properties of 1-(4,4-difluorocyclohexyl)-3-[2-(methoxymethyl)-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridin-6-yl]urea?
1-(4,4-difluorocyclohexyl)-3-[2-(methoxymethyl)-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridin-6-yl]urea has a molecular weight of 343.38 g/mol, XLogP of 1.62, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4,4-difluorocyclohexyl)-3-[2-(methoxymethyl)-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridin-6-yl]urea is sourced from PubChem (CID 127683861), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).