6-[5-[(1R)-1-aminoethyl]-3-(difluoromethyl)-1,2,4-triazol-1-yl]pyridine-3-carbonitrile

C11H10F2N6 — CID 175737083

IUPAC6-[5-[(1R)-1-aminoethyl]-3-(difluoromethyl)-1,2,4-triazol-1-yl]pyridine-3-carbonitrile
SMILESC[C@@H](N)c1nc(C(F)F)nn1-c1ccc(C#N)cn1
InChIInChI=1S/C11H10F2N6/c1-6(15)11-17-10(9(12)13)18-19(11)8-3-2-7(4-14)5-16-8/h2-3,5-6,9H,15H2,1H3/t6-/m1/s1
InChIKeyYHSZGSUYWGZTHE-ZCFIWIBFSA-N
MW264.24 g/mol
LogP1.49
Rot. Bonds3

About 6-[5-[(1R)-1-aminoethyl]-3-(difluoromethyl)-1,2,4-triazol-1-yl]pyridine-3-carbonitrile

6-[5-[(1R)-1-aminoethyl]-3-(difluoromethyl)-1,2,4-triazol-1-yl]pyridine-3-carbonitrile (PubChem CID 175737083) has the molecular formula C11H10F2N6 and a molecular weight of 264.24 g/mol. Its IUPAC name is 6-[5-[(1R)-1-aminoethyl]-3-(difluoromethyl)-1,2,4-triazol-1-yl]pyridine-3-carbonitrile.

Molecular Properties

Compound Name6-[5-[(1R)-1-aminoethyl]-3-(difluoromethyl)-1,2,4-triazol-1-yl]pyridine-3-carbonitrile
PubChem CID175737083
Molecular FormulaC11H10F2N6
Molecular Weight264.24 g/mol
Exact Mass264.09
IUPAC Name6-[5-[(1R)-1-aminoethyl]-3-(difluoromethyl)-1,2,4-triazol-1-yl]pyridine-3-carbonitrile
SMILESC[C@@H](N)c1nc(C(F)F)nn1-c1ccc(C#N)cn1
InChIInChI=1S/C11H10F2N6/c1-6(15)11-17-10(9(12)13)18-19(11)8-3-2-7(4-14)5-16-8/h2-3,5-6,9H,15H2,1H3/t6-/m1/s1
InChIKeyYHSZGSUYWGZTHE-ZCFIWIBFSA-N
XLogP1.49
TPSA93.41 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500264.24
LogP ≤ 51.49
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

6-[5-(1-aminoethyl)-3-iodo-1,2,4-triazol-1-yl]pyridine-3-carbonitrile
CID 163283814
6-[5-[(1S)-1-aminoethyl]-1,2,4-triazol-1-yl]pyridine-3-carbonitrile
CID 155676495
3-bromo-5-cyano-N-[(1S)-1-[2-(5-cyano-2-pyridinyl)-5-propan-2-yl-1,2,4-triazol-3-yl]ethyl]benzamide
CID 164936065
N-[1-[2-(5-cyano-2-pyridinyl)-5-propyl-1,2,4-triazol-3-yl]ethyl]formamide
CID 166878613
4-bromo-N-[(1S)-1-[2-(5-cyano-2-pyridinyl)-5-propan-2-yl-1,2,4-triazol-3-yl]ethyl]-6-(trifluoromethyl)pyridine-2-carboxamide
CID 164936018
6-(3-propan-2-ylpyrrolidin-1-yl)pyridine-3-carbonitrile
CID 112698394
6-(4-propan-2-ylpiperidin-1-yl)pyridine-3-carbonitrile
CID 58431342
6-(4-chloro-3,5-dimethylpyrazol-1-yl)pyridine-3-carbonitrile
CID 62129175
3-chloro-N-[(1S)-1-[2-(5-cyano-2-pyridinyl)-5-propan-2-yl-1,2,4-triazol-3-yl]ethyl]-5-cyclopropylsulfonylbenzamide
CID 164930579
N-[(1S)-1-[2-(5-cyano-2-pyridinyl)-5-propan-2-yl-1,2,4-triazol-3-yl]ethyl]-3-cyclopropyl-5-(trifluoromethoxy)benzamide
CID 164930629
6-(5-hexan-2-yl-1,2,4-triazol-1-yl)pyridine-3-carbonitrile
CID 170255842
6-[(1R,2S)-1-amino-2-hydroxypropyl]pyridine-3-carbonitrile
CID 55294065

Frequently Asked Questions

What is the IUPAC name of 6-[5-[(1R)-1-aminoethyl]-3-(difluoromethyl)-1,2,4-triazol-1-yl]pyridine-3-carbonitrile?
The IUPAC name of 6-[5-[(1R)-1-aminoethyl]-3-(difluoromethyl)-1,2,4-triazol-1-yl]pyridine-3-carbonitrile (CID 175737083) is 6-[5-[(1R)-1-aminoethyl]-3-(difluoromethyl)-1,2,4-triazol-1-yl]pyridine-3-carbonitrile.
What is the SMILES notation for 6-[5-[(1R)-1-aminoethyl]-3-(difluoromethyl)-1,2,4-triazol-1-yl]pyridine-3-carbonitrile?
The canonical SMILES for 6-[5-[(1R)-1-aminoethyl]-3-(difluoromethyl)-1,2,4-triazol-1-yl]pyridine-3-carbonitrile is C[C@@H](N)c1nc(C(F)F)nn1-c1ccc(C#N)cn1.
What is the InChIKey of 6-[5-[(1R)-1-aminoethyl]-3-(difluoromethyl)-1,2,4-triazol-1-yl]pyridine-3-carbonitrile?
The InChIKey is YHSZGSUYWGZTHE-ZCFIWIBFSA-N. The full InChI is InChI=1S/C11H10F2N6/c1-6(15)11-17-10(9(12)13)18-19(11)8-3-2-7(4-14)5-16-8/h2-3,5-6,9H,15H2,1H3/t6-/m1/s1.
What are the key properties of 6-[5-[(1R)-1-aminoethyl]-3-(difluoromethyl)-1,2,4-triazol-1-yl]pyridine-3-carbonitrile?
6-[5-[(1R)-1-aminoethyl]-3-(difluoromethyl)-1,2,4-triazol-1-yl]pyridine-3-carbonitrile has a molecular weight of 264.24 g/mol, XLogP of 1.49, 3 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[5-[(1R)-1-aminoethyl]-3-(difluoromethyl)-1,2,4-triazol-1-yl]pyridine-3-carbonitrile is sourced from PubChem (CID 175737083), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).