[5-(difluoromethyl)-2-methyl-1,2,4-triazol-3-yl]-(3,4,6,7-tetrahydroimidazo[4,5-c]pyridin-5-yl)methanone

C11H12F2N6O — CID 169165152

IUPAC[5-(difluoromethyl)-2-methyl-1,2,4-triazol-3-yl]-(3,4,6,7-tetrahydroimidazo[4,5-c]pyridin-5-yl)methanone
SMILESCn1nc(C(F)F)nc1C(=O)N1CCc2nc[nH]c2C1
InChIInChI=1S/C11H12F2N6O/c1-18-10(16-9(17-18)8(12)13)11(20)19-3-2-6-7(4-19)15-5-14-6/h5,8H,2-4H2,1H3,(H,14,15)
InChIKeyYMUKFTZKIHFGEM-UHFFFAOYSA-N
MW282.25 g/mol
LogP0.67
Rot. Bonds2

About [5-(difluoromethyl)-2-methyl-1,2,4-triazol-3-yl]-(3,4,6,7-tetrahydroimidazo[4,5-c]pyridin-5-yl)methanone

[5-(difluoromethyl)-2-methyl-1,2,4-triazol-3-yl]-(3,4,6,7-tetrahydroimidazo[4,5-c]pyridin-5-yl)methanone (PubChem CID 169165152) has the molecular formula C11H12F2N6O and a molecular weight of 282.25 g/mol. Its IUPAC name is [5-(difluoromethyl)-2-methyl-1,2,4-triazol-3-yl]-(3,4,6,7-tetrahydroimidazo[4,5-c]pyridin-5-yl)methanone.

Molecular Properties

Compound Name[5-(difluoromethyl)-2-methyl-1,2,4-triazol-3-yl]-(3,4,6,7-tetrahydroimidazo[4,5-c]pyridin-5-yl)methanone
PubChem CID169165152
Molecular FormulaC11H12F2N6O
Molecular Weight282.25 g/mol
Exact Mass282.10
IUPAC Name[5-(difluoromethyl)-2-methyl-1,2,4-triazol-3-yl]-(3,4,6,7-tetrahydroimidazo[4,5-c]pyridin-5-yl)methanone
SMILESCn1nc(C(F)F)nc1C(=O)N1CCc2nc[nH]c2C1
InChIInChI=1S/C11H12F2N6O/c1-18-10(16-9(17-18)8(12)13)11(20)19-3-2-6-7(4-19)15-5-14-6/h5,8H,2-4H2,1H3,(H,14,15)
InChIKeyYMUKFTZKIHFGEM-UHFFFAOYSA-N
XLogP0.67
TPSA79.70 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500282.25
LogP ≤ 50.67
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of [5-(difluoromethyl)-2-methyl-1,2,4-triazol-3-yl]-(3,4,6,7-tetrahydroimidazo[4,5-c]pyridin-5-yl)methanone?
The IUPAC name of [5-(difluoromethyl)-2-methyl-1,2,4-triazol-3-yl]-(3,4,6,7-tetrahydroimidazo[4,5-c]pyridin-5-yl)methanone (CID 169165152) is [5-(difluoromethyl)-2-methyl-1,2,4-triazol-3-yl]-(3,4,6,7-tetrahydroimidazo[4,5-c]pyridin-5-yl)methanone.
What is the SMILES notation for [5-(difluoromethyl)-2-methyl-1,2,4-triazol-3-yl]-(3,4,6,7-tetrahydroimidazo[4,5-c]pyridin-5-yl)methanone?
The canonical SMILES for [5-(difluoromethyl)-2-methyl-1,2,4-triazol-3-yl]-(3,4,6,7-tetrahydroimidazo[4,5-c]pyridin-5-yl)methanone is Cn1nc(C(F)F)nc1C(=O)N1CCc2nc[nH]c2C1.
What is the InChIKey of [5-(difluoromethyl)-2-methyl-1,2,4-triazol-3-yl]-(3,4,6,7-tetrahydroimidazo[4,5-c]pyridin-5-yl)methanone?
The InChIKey is YMUKFTZKIHFGEM-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H12F2N6O/c1-18-10(16-9(17-18)8(12)13)11(20)19-3-2-6-7(4-19)15-5-14-6/h5,8H,2-4H2,1H3,(H,14,15).
What are the key properties of [5-(difluoromethyl)-2-methyl-1,2,4-triazol-3-yl]-(3,4,6,7-tetrahydroimidazo[4,5-c]pyridin-5-yl)methanone?
[5-(difluoromethyl)-2-methyl-1,2,4-triazol-3-yl]-(3,4,6,7-tetrahydroimidazo[4,5-c]pyridin-5-yl)methanone has a molecular weight of 282.25 g/mol, XLogP of 0.67, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [5-(difluoromethyl)-2-methyl-1,2,4-triazol-3-yl]-(3,4,6,7-tetrahydroimidazo[4,5-c]pyridin-5-yl)methanone is sourced from PubChem (CID 169165152), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).