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

C13H17F2N7O — CID 127344803

IUPAC1-[[1-(difluoromethyl)imidazol-2-yl]methyl]-1-methyl-3-(5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridin-6-yl)urea
SMILESCN(Cc1nccn1C(F)F)C(=O)NC1CCc2ncnn2C1
InChIInChI=1S/C13H17F2N7O/c1-20(7-11-16-4-5-21(11)12(14)15)13(23)19-9-2-3-10-17-8-18-22(10)6-9/h4-5,8-9,12H,2-3,6-7H2,1H3,(H,19,23)
InChIKeyHPVVSQUVUQXAMT-UHFFFAOYSA-N
MW325.32 g/mol
LogP1.03
Rot. Bonds4

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

1-[[1-(difluoromethyl)imidazol-2-yl]methyl]-1-methyl-3-(5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridin-6-yl)urea (PubChem CID 127344803) has the molecular formula C13H17F2N7O and a molecular weight of 325.32 g/mol. Its IUPAC name is 1-[[1-(difluoromethyl)imidazol-2-yl]methyl]-1-methyl-3-(5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridin-6-yl)urea.

Molecular Properties

Compound Name1-[[1-(difluoromethyl)imidazol-2-yl]methyl]-1-methyl-3-(5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridin-6-yl)urea
PubChem CID127344803
Molecular FormulaC13H17F2N7O
Molecular Weight325.32 g/mol
Exact Mass325.15
IUPAC Name1-[[1-(difluoromethyl)imidazol-2-yl]methyl]-1-methyl-3-(5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridin-6-yl)urea
SMILESCN(Cc1nccn1C(F)F)C(=O)NC1CCc2ncnn2C1
InChIInChI=1S/C13H17F2N7O/c1-20(7-11-16-4-5-21(11)12(14)15)13(23)19-9-2-3-10-17-8-18-22(10)6-9/h4-5,8-9,12H,2-3,6-7H2,1H3,(H,19,23)
InChIKeyHPVVSQUVUQXAMT-UHFFFAOYSA-N
XLogP1.03
TPSA80.87 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500325.32
LogP ≤ 51.03
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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

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Frequently Asked Questions

What is the IUPAC name of 1-[[1-(difluoromethyl)imidazol-2-yl]methyl]-1-methyl-3-(5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridin-6-yl)urea?
The IUPAC name of 1-[[1-(difluoromethyl)imidazol-2-yl]methyl]-1-methyl-3-(5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridin-6-yl)urea (CID 127344803) is 1-[[1-(difluoromethyl)imidazol-2-yl]methyl]-1-methyl-3-(5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridin-6-yl)urea.
What is the SMILES notation for 1-[[1-(difluoromethyl)imidazol-2-yl]methyl]-1-methyl-3-(5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridin-6-yl)urea?
The canonical SMILES for 1-[[1-(difluoromethyl)imidazol-2-yl]methyl]-1-methyl-3-(5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridin-6-yl)urea is CN(Cc1nccn1C(F)F)C(=O)NC1CCc2ncnn2C1.
What is the InChIKey of 1-[[1-(difluoromethyl)imidazol-2-yl]methyl]-1-methyl-3-(5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridin-6-yl)urea?
The InChIKey is HPVVSQUVUQXAMT-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17F2N7O/c1-20(7-11-16-4-5-21(11)12(14)15)13(23)19-9-2-3-10-17-8-18-22(10)6-9/h4-5,8-9,12H,2-3,6-7H2,1H3,(H,19,23).
What are the key properties of 1-[[1-(difluoromethyl)imidazol-2-yl]methyl]-1-methyl-3-(5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridin-6-yl)urea?
1-[[1-(difluoromethyl)imidazol-2-yl]methyl]-1-methyl-3-(5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridin-6-yl)urea has a molecular weight of 325.32 g/mol, XLogP of 1.03, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[[1-(difluoromethyl)imidazol-2-yl]methyl]-1-methyl-3-(5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridin-6-yl)urea is sourced from PubChem (CID 127344803), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).