6-[2-(1-methyl-1,2,4-triazol-3-yl)ethylcarbamoyl]pyridine-3-carboxylic acid

C12H13N5O3 — CID 80688805

IUPAC6-[2-(1-methyl-1,2,4-triazol-3-yl)ethylcarbamoyl]pyridine-3-carboxylic acid
SMILESCn1cnc(CCNC(=O)c2ccc(C(=O)O)cn2)n1
InChIInChI=1S/C12H13N5O3/c1-17-7-15-10(16-17)4-5-13-11(18)9-3-2-8(6-14-9)12(19)20/h2-3,6-7H,4-5H2,1H3,(H,13,18)(H,19,20)
InChIKeyCWUJFQVYMMNWOC-UHFFFAOYSA-N
MW275.27 g/mol
LogP-0.12
Rot. Bonds5

About 6-[2-(1-methyl-1,2,4-triazol-3-yl)ethylcarbamoyl]pyridine-3-carboxylic acid

6-[2-(1-methyl-1,2,4-triazol-3-yl)ethylcarbamoyl]pyridine-3-carboxylic acid (PubChem CID 80688805) has the molecular formula C12H13N5O3 and a molecular weight of 275.27 g/mol. Its IUPAC name is 6-[2-(1-methyl-1,2,4-triazol-3-yl)ethylcarbamoyl]pyridine-3-carboxylic acid.

Molecular Properties

Compound Name6-[2-(1-methyl-1,2,4-triazol-3-yl)ethylcarbamoyl]pyridine-3-carboxylic acid
PubChem CID80688805
Molecular FormulaC12H13N5O3
Molecular Weight275.27 g/mol
Exact Mass275.10
IUPAC Name6-[2-(1-methyl-1,2,4-triazol-3-yl)ethylcarbamoyl]pyridine-3-carboxylic acid
SMILESCn1cnc(CCNC(=O)c2ccc(C(=O)O)cn2)n1
InChIInChI=1S/C12H13N5O3/c1-17-7-15-10(16-17)4-5-13-11(18)9-3-2-8(6-14-9)12(19)20/h2-3,6-7H,4-5H2,1H3,(H,13,18)(H,19,20)
InChIKeyCWUJFQVYMMNWOC-UHFFFAOYSA-N
XLogP-0.12
TPSA110.00 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500275.27
LogP ≤ 5-0.12
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

6-[2-(1-methylpyrazol-4-yl)ethylcarbamoyl]pyridine-3-carboxylic acid
CID 112731793
6-[2-[ethyl(methyl)amino]ethylcarbamoyl]pyridine-3-carboxylic acid
CID 62634866
6-[2-(1-methylpiperidin-4-yl)ethylcarbamoyl]pyridine-3-carboxylic acid
CID 114516523
6-amino-N-[2-(1-methyl-1,2,4-triazol-3-yl)ethyl]pyridine-2-carboxamide;hydrochloride
CID 119999188
3-chloro-4-[2-(1-methyl-1,2,4-triazol-3-yl)ethylamino]benzoic acid
CID 80686013
6-(3-methylsulfanylpropylcarbamoyl)pyridine-3-carboxylic acid
CID 63959923
6-(2-thiophen-2-ylethylcarbamoyl)pyridine-3-carboxylic acid
CID 43427327
2-[4-[2-(1-methyl-1,2,4-triazol-3-yl)ethylcarbamoyl]triazol-1-yl]acetic acid
CID 80689290
5-[2-(4-methyl-1,2,4-triazol-3-yl)ethylcarbamoyl]pyridine-2-carboxylic acid
CID 63331300
3-methyl-4-(methylamino)-N-[2-(1-methyl-1,2,4-triazol-3-yl)ethyl]benzamide
CID 80685923
6-[(4-methyl-1,2,4-triazol-3-yl)methylcarbamoyl]pyridine-3-carboxylic acid
CID 60754840
6-(3-propan-2-yloxypropylcarbamoyl)pyridine-3-carboxylic acid
CID 14210559

Frequently Asked Questions

What is the IUPAC name of 6-[2-(1-methyl-1,2,4-triazol-3-yl)ethylcarbamoyl]pyridine-3-carboxylic acid?
The IUPAC name of 6-[2-(1-methyl-1,2,4-triazol-3-yl)ethylcarbamoyl]pyridine-3-carboxylic acid (CID 80688805) is 6-[2-(1-methyl-1,2,4-triazol-3-yl)ethylcarbamoyl]pyridine-3-carboxylic acid.
What is the SMILES notation for 6-[2-(1-methyl-1,2,4-triazol-3-yl)ethylcarbamoyl]pyridine-3-carboxylic acid?
The canonical SMILES for 6-[2-(1-methyl-1,2,4-triazol-3-yl)ethylcarbamoyl]pyridine-3-carboxylic acid is Cn1cnc(CCNC(=O)c2ccc(C(=O)O)cn2)n1.
What is the InChIKey of 6-[2-(1-methyl-1,2,4-triazol-3-yl)ethylcarbamoyl]pyridine-3-carboxylic acid?
The InChIKey is CWUJFQVYMMNWOC-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H13N5O3/c1-17-7-15-10(16-17)4-5-13-11(18)9-3-2-8(6-14-9)12(19)20/h2-3,6-7H,4-5H2,1H3,(H,13,18)(H,19,20).
What are the key properties of 6-[2-(1-methyl-1,2,4-triazol-3-yl)ethylcarbamoyl]pyridine-3-carboxylic acid?
6-[2-(1-methyl-1,2,4-triazol-3-yl)ethylcarbamoyl]pyridine-3-carboxylic acid has a molecular weight of 275.27 g/mol, XLogP of -0.12, 5 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[2-(1-methyl-1,2,4-triazol-3-yl)ethylcarbamoyl]pyridine-3-carboxylic acid is sourced from PubChem (CID 80688805), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).