(2-cyano-4-pyridinyl)methyl 2-(3-amino-1,2,4-triazol-1-yl)acetate

C11H10N6O2 — CID 63881233

IUPAC(2-cyano-4-pyridinyl)methyl 2-(3-amino-1,2,4-triazol-1-yl)acetate
SMILESN#Cc1cc(COC(=O)Cn2cnc(N)n2)ccn1
InChIInChI=1S/C11H10N6O2/c12-4-9-3-8(1-2-14-9)6-19-10(18)5-17-7-15-11(13)16-17/h1-3,7H,5-6H2,(H2,13,16)
InChIKeyZUNGRBNAFRICGW-UHFFFAOYSA-N
MW258.24 g/mol
LogP-0.13
Rot. Bonds4

About (2-cyano-4-pyridinyl)methyl 2-(3-amino-1,2,4-triazol-1-yl)acetate

(2-cyano-4-pyridinyl)methyl 2-(3-amino-1,2,4-triazol-1-yl)acetate (PubChem CID 63881233) has the molecular formula C11H10N6O2 and a molecular weight of 258.24 g/mol. Its IUPAC name is (2-cyano-4-pyridinyl)methyl 2-(3-amino-1,2,4-triazol-1-yl)acetate.

Molecular Properties

Compound Name(2-cyano-4-pyridinyl)methyl 2-(3-amino-1,2,4-triazol-1-yl)acetate
PubChem CID63881233
Molecular FormulaC11H10N6O2
Molecular Weight258.24 g/mol
Exact Mass258.09
IUPAC Name(2-cyano-4-pyridinyl)methyl 2-(3-amino-1,2,4-triazol-1-yl)acetate
SMILESN#Cc1cc(COC(=O)Cn2cnc(N)n2)ccn1
InChIInChI=1S/C11H10N6O2/c12-4-9-3-8(1-2-14-9)6-19-10(18)5-17-7-15-11(13)16-17/h1-3,7H,5-6H2,(H2,13,16)
InChIKeyZUNGRBNAFRICGW-UHFFFAOYSA-N
XLogP-0.13
TPSA119.71 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500258.24
LogP ≤ 5-0.13
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

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Related Compounds

(2-cyano-3-pyridinyl)methyl 2-(3-amino-1,2,4-triazol-1-yl)acetate
CID 62895643
(4-bromophenyl)methyl 2-(3-amino-1,2,4-triazol-1-yl)acetate
CID 61317027
(2-cyano-4-pyridinyl)methyl 4-aminobenzoate
CID 63881412
(4-propan-2-ylphenyl)methyl 2-(3-amino-1,2,4-triazol-1-yl)acetate
CID 61315694
(2-cyano-4-pyridinyl)methyl 2,4-diaminobenzoate
CID 63881223
(2-cyano-4-pyridinyl)methyl 3-aminobenzoate
CID 63880643
(2,6-dichlorophenyl)methyl 2-(3-amino-1,2,4-triazol-1-yl)acetate
CID 61315883
(2-cyano-4-pyridinyl)methyl 2-amino-6-methoxybenzoate
CID 81395074
4-[(4-hydroxyphenoxy)methyl]pyridine-2-carbonitrile
CID 63882551
(2-amino-2-oxoethyl) 2-(3-amino-1,2,4-triazol-1-yl)acetate
CID 61315878
(5-bromo-2-fluorophenyl)methyl 2-(3-amino-1,2,4-triazol-1-yl)acetate
CID 61314560
4-[(3-aminophenoxy)methyl]pyridine-2-carbonitrile
CID 63888827

Frequently Asked Questions

What is the IUPAC name of (2-cyano-4-pyridinyl)methyl 2-(3-amino-1,2,4-triazol-1-yl)acetate?
The IUPAC name of (2-cyano-4-pyridinyl)methyl 2-(3-amino-1,2,4-triazol-1-yl)acetate (CID 63881233) is (2-cyano-4-pyridinyl)methyl 2-(3-amino-1,2,4-triazol-1-yl)acetate.
What is the SMILES notation for (2-cyano-4-pyridinyl)methyl 2-(3-amino-1,2,4-triazol-1-yl)acetate?
The canonical SMILES for (2-cyano-4-pyridinyl)methyl 2-(3-amino-1,2,4-triazol-1-yl)acetate is N#Cc1cc(COC(=O)Cn2cnc(N)n2)ccn1.
What is the InChIKey of (2-cyano-4-pyridinyl)methyl 2-(3-amino-1,2,4-triazol-1-yl)acetate?
The InChIKey is ZUNGRBNAFRICGW-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H10N6O2/c12-4-9-3-8(1-2-14-9)6-19-10(18)5-17-7-15-11(13)16-17/h1-3,7H,5-6H2,(H2,13,16).
What are the key properties of (2-cyano-4-pyridinyl)methyl 2-(3-amino-1,2,4-triazol-1-yl)acetate?
(2-cyano-4-pyridinyl)methyl 2-(3-amino-1,2,4-triazol-1-yl)acetate has a molecular weight of 258.24 g/mol, XLogP of -0.13, 4 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for (2-cyano-4-pyridinyl)methyl 2-(3-amino-1,2,4-triazol-1-yl)acetate is sourced from PubChem (CID 63881233), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).