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

C10H10ClN5O2 — CID 114125777

IUPAC5-chloro-6-[(1-methyl-1,2,4-triazol-3-yl)methylamino]pyridine-3-carboxylic acid
SMILESCn1cnc(CNc2ncc(C(=O)O)cc2Cl)n1
InChIInChI=1S/C10H10ClN5O2/c1-16-5-14-8(15-16)4-13-9-7(11)2-6(3-12-9)10(17)18/h2-3,5H,4H2,1H3,(H,12,13)(H,17,18)
InChIKeyQMLYXFASADATAJ-UHFFFAOYSA-N
MW267.68 g/mol
LogP1.17
Rot. Bonds4

About 5-chloro-6-[(1-methyl-1,2,4-triazol-3-yl)methylamino]pyridine-3-carboxylic acid

5-chloro-6-[(1-methyl-1,2,4-triazol-3-yl)methylamino]pyridine-3-carboxylic acid (PubChem CID 114125777) has the molecular formula C10H10ClN5O2 and a molecular weight of 267.68 g/mol. Its IUPAC name is 5-chloro-6-[(1-methyl-1,2,4-triazol-3-yl)methylamino]pyridine-3-carboxylic acid.

Molecular Properties

Compound Name5-chloro-6-[(1-methyl-1,2,4-triazol-3-yl)methylamino]pyridine-3-carboxylic acid
PubChem CID114125777
Molecular FormulaC10H10ClN5O2
Molecular Weight267.68 g/mol
Exact Mass267.05
IUPAC Name5-chloro-6-[(1-methyl-1,2,4-triazol-3-yl)methylamino]pyridine-3-carboxylic acid
SMILESCn1cnc(CNc2ncc(C(=O)O)cc2Cl)n1
InChIInChI=1S/C10H10ClN5O2/c1-16-5-14-8(15-16)4-13-9-7(11)2-6(3-12-9)10(17)18/h2-3,5H,4H2,1H3,(H,12,13)(H,17,18)
InChIKeyQMLYXFASADATAJ-UHFFFAOYSA-N
XLogP1.17
TPSA92.93 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500267.68
LogP ≤ 51.17
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

5-chloro-6-[(1,5-dimethylpyrazol-4-yl)methylamino]pyridine-3-carboxylic acid
CID 106034383
5-chloro-2-[(1-methyl-1,2,4-triazol-3-yl)methylamino]pyridine-4-carboxylic acid
CID 114125776
5-chloro-6-[2-(1-methylpyrazol-3-yl)ethylamino]pyridine-3-carboxylic acid
CID 106105319
5-chloro-6-[(6-methyl-3-pyridinyl)methylamino]pyridine-3-carboxylic acid
CID 62990731
5-chloro-6-[(5-ethylthiophen-2-yl)methylamino]pyridine-3-carboxylic acid
CID 114136292
5-chloro-6-(2,3-dimethylbutylamino)pyridine-3-carboxylic acid
CID 64597735
3-chloro-4-[2-(1-methyl-1,2,4-triazol-3-yl)ethylamino]benzoic acid
CID 80686013
5-chloro-6-(2,2-difluoroethylamino)pyridine-3-carboxylic acid
CID 115407319
5-chloro-6-(2-methoxypropylamino)pyridine-3-carboxylic acid
CID 102698529
5-chloro-6-(2-thiomorpholin-4-ylethylamino)pyridine-3-carboxylic acid
CID 114173858
5-chloro-6-[2-(2-methylpyrazol-3-yl)ethylamino]pyridine-3-carboxylic acid
CID 103007409
5-chloro-6-[(1-methyl-3-phenylpyrazol-4-yl)methylamino]pyridine-3-carboxamide
CID 133449160

Frequently Asked Questions

What is the IUPAC name of 5-chloro-6-[(1-methyl-1,2,4-triazol-3-yl)methylamino]pyridine-3-carboxylic acid?
The IUPAC name of 5-chloro-6-[(1-methyl-1,2,4-triazol-3-yl)methylamino]pyridine-3-carboxylic acid (CID 114125777) is 5-chloro-6-[(1-methyl-1,2,4-triazol-3-yl)methylamino]pyridine-3-carboxylic acid.
What is the SMILES notation for 5-chloro-6-[(1-methyl-1,2,4-triazol-3-yl)methylamino]pyridine-3-carboxylic acid?
The canonical SMILES for 5-chloro-6-[(1-methyl-1,2,4-triazol-3-yl)methylamino]pyridine-3-carboxylic acid is Cn1cnc(CNc2ncc(C(=O)O)cc2Cl)n1.
What is the InChIKey of 5-chloro-6-[(1-methyl-1,2,4-triazol-3-yl)methylamino]pyridine-3-carboxylic acid?
The InChIKey is QMLYXFASADATAJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H10ClN5O2/c1-16-5-14-8(15-16)4-13-9-7(11)2-6(3-12-9)10(17)18/h2-3,5H,4H2,1H3,(H,12,13)(H,17,18).
What are the key properties of 5-chloro-6-[(1-methyl-1,2,4-triazol-3-yl)methylamino]pyridine-3-carboxylic acid?
5-chloro-6-[(1-methyl-1,2,4-triazol-3-yl)methylamino]pyridine-3-carboxylic acid has a molecular weight of 267.68 g/mol, XLogP of 1.17, 4 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-chloro-6-[(1-methyl-1,2,4-triazol-3-yl)methylamino]pyridine-3-carboxylic acid is sourced from PubChem (CID 114125777), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).