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

C14H15F2N5O — CID 97343562

IUPAC1-(3,4-difluorophenyl)-3-[(6S)-3-methyl-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridin-6-yl]urea
SMILESCc1nnc2n1C[C@@H](NC(=O)Nc1ccc(F)c(F)c1)CC2
InChIInChI=1S/C14H15F2N5O/c1-8-19-20-13-5-3-10(7-21(8)13)18-14(22)17-9-2-4-11(15)12(16)6-9/h2,4,6,10H,3,5,7H2,1H3,(H2,17,18,22)/t10-/m0/s1
InChIKeyMBECIZUFGIKLNI-JTQLQIEISA-N
MW307.30 g/mol
LogP2.00
Rot. Bonds2

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

1-(3,4-difluorophenyl)-3-[(6S)-3-methyl-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridin-6-yl]urea (PubChem CID 97343562) has the molecular formula C14H15F2N5O and a molecular weight of 307.30 g/mol. Its IUPAC name is 1-(3,4-difluorophenyl)-3-[(6S)-3-methyl-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridin-6-yl]urea.

Molecular Properties

Compound Name1-(3,4-difluorophenyl)-3-[(6S)-3-methyl-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridin-6-yl]urea
PubChem CID97343562
Molecular FormulaC14H15F2N5O
Molecular Weight307.30 g/mol
Exact Mass307.12
IUPAC Name1-(3,4-difluorophenyl)-3-[(6S)-3-methyl-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridin-6-yl]urea
SMILESCc1nnc2n1C[C@@H](NC(=O)Nc1ccc(F)c(F)c1)CC2
InChIInChI=1S/C14H15F2N5O/c1-8-19-20-13-5-3-10(7-21(8)13)18-14(22)17-9-2-4-11(15)12(16)6-9/h2,4,6,10H,3,5,7H2,1H3,(H2,17,18,22)/t10-/m0/s1
InChIKeyMBECIZUFGIKLNI-JTQLQIEISA-N
XLogP2.00
TPSA71.84 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500307.30
LogP ≤ 52.00
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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

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Related Compounds

5-[[(6S)-3-(4-fluorophenyl)-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridin-6-yl]carbamoylamino]-2-methylbenzamide
CID 97346852
1-(3-methyl-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridin-6-yl)-3-[[4-(propan-2-ylcarbamoylamino)phenyl]methyl]urea
CID 154797862
1-[3-(4-fluorophenyl)-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridin-6-yl]-3-pyridin-4-ylurea
CID 75475624
2-(3-fluorophenyl)-2-methyl-N-[(6R)-3-methyl-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridin-6-yl]propanamide
CID 97317459
1-(4-methylphenyl)-3-[3-(trifluoromethyl)-5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-6-yl]urea
CID 155900026
cis-(1R,3S)-3-[(3,4-difluorophenyl)carbamoylamino]cyclopentane-1-carboxylic acid
CID 106324149
1-[3-(4-fluorophenyl)-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridin-6-yl]-3-[3-[(2-oxopyrrolidin-1-yl)methyl]phenyl]urea
CID 154837502
1-cyclohexyl-3-[4-(3,4-difluoroanilino)phenyl]urea
CID 112990296
N-(3-methyl-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridin-6-yl)-3,4-dihydro-2H-1,5-benzodioxepine-7-carboxamide
CID 54579739
(2R)-N-[(6R)-3-methyl-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridin-6-yl]-1,4-dioxane-2-carboxamide
CID 95137904
1-methylsulfonyl-N-[(6S)-3-methyl-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridin-6-yl]piperidine-4-carboxamide
CID 95148105
N-[5-(cyclopropylcarbamoylamino)-2-fluorophenyl]acetamide
CID 47162368

Frequently Asked Questions

What is the IUPAC name of 1-(3,4-difluorophenyl)-3-[(6S)-3-methyl-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridin-6-yl]urea?
The IUPAC name of 1-(3,4-difluorophenyl)-3-[(6S)-3-methyl-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridin-6-yl]urea (CID 97343562) is 1-(3,4-difluorophenyl)-3-[(6S)-3-methyl-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridin-6-yl]urea.
What is the SMILES notation for 1-(3,4-difluorophenyl)-3-[(6S)-3-methyl-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridin-6-yl]urea?
The canonical SMILES for 1-(3,4-difluorophenyl)-3-[(6S)-3-methyl-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridin-6-yl]urea is Cc1nnc2n1C[C@@H](NC(=O)Nc1ccc(F)c(F)c1)CC2.
What is the InChIKey of 1-(3,4-difluorophenyl)-3-[(6S)-3-methyl-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridin-6-yl]urea?
The InChIKey is MBECIZUFGIKLNI-JTQLQIEISA-N. The full InChI is InChI=1S/C14H15F2N5O/c1-8-19-20-13-5-3-10(7-21(8)13)18-14(22)17-9-2-4-11(15)12(16)6-9/h2,4,6,10H,3,5,7H2,1H3,(H2,17,18,22)/t10-/m0/s1.
What are the key properties of 1-(3,4-difluorophenyl)-3-[(6S)-3-methyl-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridin-6-yl]urea?
1-(3,4-difluorophenyl)-3-[(6S)-3-methyl-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridin-6-yl]urea has a molecular weight of 307.30 g/mol, XLogP of 2.00, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3,4-difluorophenyl)-3-[(6S)-3-methyl-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridin-6-yl]urea is sourced from PubChem (CID 97343562), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).