methyl 3-[methyl-[6-(1,2,4-triazol-1-yl)pyridine-3-carbonyl]amino]propanoate

C13H15N5O3 — CID 61030580

IUPACmethyl 3-[methyl-[6-(1,2,4-triazol-1-yl)pyridine-3-carbonyl]amino]propanoate
SMILESCOC(=O)CCN(C)C(=O)c1ccc(-n2cncn2)nc1
InChIInChI=1S/C13H15N5O3/c1-17(6-5-12(19)21-2)13(20)10-3-4-11(15-7-10)18-9-14-8-16-18/h3-4,7-9H,5-6H2,1-2H3
InChIKeySINWXXNVIDSESN-UHFFFAOYSA-N
MW289.30 g/mol
LogP0.30
Rot. Bonds5

About methyl 3-[methyl-[6-(1,2,4-triazol-1-yl)pyridine-3-carbonyl]amino]propanoate

methyl 3-[methyl-[6-(1,2,4-triazol-1-yl)pyridine-3-carbonyl]amino]propanoate (PubChem CID 61030580) has the molecular formula C13H15N5O3 and a molecular weight of 289.30 g/mol. Its IUPAC name is methyl 3-[methyl-[6-(1,2,4-triazol-1-yl)pyridine-3-carbonyl]amino]propanoate.

Molecular Properties

Compound Namemethyl 3-[methyl-[6-(1,2,4-triazol-1-yl)pyridine-3-carbonyl]amino]propanoate
PubChem CID61030580
Molecular FormulaC13H15N5O3
Molecular Weight289.30 g/mol
Exact Mass289.12
IUPAC Namemethyl 3-[methyl-[6-(1,2,4-triazol-1-yl)pyridine-3-carbonyl]amino]propanoate
SMILESCOC(=O)CCN(C)C(=O)c1ccc(-n2cncn2)nc1
InChIInChI=1S/C13H15N5O3/c1-17(6-5-12(19)21-2)13(20)10-3-4-11(15-7-10)18-9-14-8-16-18/h3-4,7-9H,5-6H2,1-2H3
InChIKeySINWXXNVIDSESN-UHFFFAOYSA-N
XLogP0.30
TPSA90.21 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500289.30
LogP ≤ 50.30
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of methyl 3-[methyl-[6-(1,2,4-triazol-1-yl)pyridine-3-carbonyl]amino]propanoate?
The IUPAC name of methyl 3-[methyl-[6-(1,2,4-triazol-1-yl)pyridine-3-carbonyl]amino]propanoate (CID 61030580) is methyl 3-[methyl-[6-(1,2,4-triazol-1-yl)pyridine-3-carbonyl]amino]propanoate.
What is the SMILES notation for methyl 3-[methyl-[6-(1,2,4-triazol-1-yl)pyridine-3-carbonyl]amino]propanoate?
The canonical SMILES for methyl 3-[methyl-[6-(1,2,4-triazol-1-yl)pyridine-3-carbonyl]amino]propanoate is COC(=O)CCN(C)C(=O)c1ccc(-n2cncn2)nc1.
What is the InChIKey of methyl 3-[methyl-[6-(1,2,4-triazol-1-yl)pyridine-3-carbonyl]amino]propanoate?
The InChIKey is SINWXXNVIDSESN-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H15N5O3/c1-17(6-5-12(19)21-2)13(20)10-3-4-11(15-7-10)18-9-14-8-16-18/h3-4,7-9H,5-6H2,1-2H3.
What are the key properties of methyl 3-[methyl-[6-(1,2,4-triazol-1-yl)pyridine-3-carbonyl]amino]propanoate?
methyl 3-[methyl-[6-(1,2,4-triazol-1-yl)pyridine-3-carbonyl]amino]propanoate has a molecular weight of 289.30 g/mol, XLogP of 0.30, 5 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 3-[methyl-[6-(1,2,4-triazol-1-yl)pyridine-3-carbonyl]amino]propanoate is sourced from PubChem (CID 61030580), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).