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

C10H10ClN5O2 — CID 114125776

IUPAC5-chloro-2-[(1-methyl-1,2,4-triazol-3-yl)methylamino]pyridine-4-carboxylic acid
SMILESCn1cnc(CNc2cc(C(=O)O)c(Cl)cn2)n1
InChIInChI=1S/C10H10ClN5O2/c1-16-5-14-9(15-16)4-13-8-2-6(10(17)18)7(11)3-12-8/h2-3,5H,4H2,1H3,(H,12,13)(H,17,18)
InChIKeyLFQKVLLRIQVUHT-UHFFFAOYSA-N
MW267.68 g/mol
LogP1.17
Rot. Bonds4

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

5-chloro-2-[(1-methyl-1,2,4-triazol-3-yl)methylamino]pyridine-4-carboxylic acid (PubChem CID 114125776) has the molecular formula C10H10ClN5O2 and a molecular weight of 267.68 g/mol. Its IUPAC name is 5-chloro-2-[(1-methyl-1,2,4-triazol-3-yl)methylamino]pyridine-4-carboxylic acid.

Molecular Properties

Compound Name5-chloro-2-[(1-methyl-1,2,4-triazol-3-yl)methylamino]pyridine-4-carboxylic acid
PubChem CID114125776
Molecular FormulaC10H10ClN5O2
Molecular Weight267.68 g/mol
Exact Mass267.05
IUPAC Name5-chloro-2-[(1-methyl-1,2,4-triazol-3-yl)methylamino]pyridine-4-carboxylic acid
SMILESCn1cnc(CNc2cc(C(=O)O)c(Cl)cn2)n1
InChIInChI=1S/C10H10ClN5O2/c1-16-5-14-9(15-16)4-13-8-2-6(10(17)18)7(11)3-12-8/h2-3,5H,4H2,1H3,(H,12,13)(H,17,18)
InChIKeyLFQKVLLRIQVUHT-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-methyl-1,2,4-triazol-3-yl)methylamino]pyridine-3-carboxylic acid
CID 114125777
5-chloro-2-[(1,5-dimethylpyrazol-4-yl)methylamino]pyridine-4-carboxylic acid
CID 106034629
5-chloro-2-(2-methylprop-2-enylamino)pyridine-4-carboxylic acid
CID 114920056
5-chloro-2-[(1-methylpyrazol-4-yl)amino]pyridine-4-carboxylic acid
CID 114919233
5-chloro-2-[(3-methyl-2-propan-2-ylbutyl)amino]pyridine-4-carboxylic acid
CID 102906562
N,N-dimethyl-6-[(1-methyl-1,2,4-triazol-3-yl)methylamino]pyridine-3-carboxamide
CID 103883730
5-chloro-2-[(6-methyl-2-pyridinyl)methylamino]pyridine-4-carboxylic acid
CID 114919543
5-chloro-2-[2-(1-methylimidazol-2-yl)ethylamino]pyridine-4-carboxylic acid
CID 114919507
5-chloro-2-(3-methylpentan-3-ylamino)pyridine-4-carboxylic acid
CID 106329975
5-chloro-2-[(4-hydroxy-2-methylbutan-2-yl)amino]pyridine-4-carboxylic acid
CID 114920020
5-chloro-2-(5-hydroxypentylamino)pyridine-4-carboxylic acid
CID 107317996
5-chloro-2-[(2-methyl-3-methylsulfanylpropyl)amino]pyridine-4-carboxylic acid
CID 114919676

Frequently Asked Questions

What is the IUPAC name of 5-chloro-2-[(1-methyl-1,2,4-triazol-3-yl)methylamino]pyridine-4-carboxylic acid?
The IUPAC name of 5-chloro-2-[(1-methyl-1,2,4-triazol-3-yl)methylamino]pyridine-4-carboxylic acid (CID 114125776) is 5-chloro-2-[(1-methyl-1,2,4-triazol-3-yl)methylamino]pyridine-4-carboxylic acid.
What is the SMILES notation for 5-chloro-2-[(1-methyl-1,2,4-triazol-3-yl)methylamino]pyridine-4-carboxylic acid?
The canonical SMILES for 5-chloro-2-[(1-methyl-1,2,4-triazol-3-yl)methylamino]pyridine-4-carboxylic acid is Cn1cnc(CNc2cc(C(=O)O)c(Cl)cn2)n1.
What is the InChIKey of 5-chloro-2-[(1-methyl-1,2,4-triazol-3-yl)methylamino]pyridine-4-carboxylic acid?
The InChIKey is LFQKVLLRIQVUHT-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H10ClN5O2/c1-16-5-14-9(15-16)4-13-8-2-6(10(17)18)7(11)3-12-8/h2-3,5H,4H2,1H3,(H,12,13)(H,17,18).
What are the key properties of 5-chloro-2-[(1-methyl-1,2,4-triazol-3-yl)methylamino]pyridine-4-carboxylic acid?
5-chloro-2-[(1-methyl-1,2,4-triazol-3-yl)methylamino]pyridine-4-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-2-[(1-methyl-1,2,4-triazol-3-yl)methylamino]pyridine-4-carboxylic acid is sourced from PubChem (CID 114125776), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).