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

C11H13N5O2 — CID 81244751

IUPAC6-methyl-4-[(4-methyl-1,2,4-triazol-3-yl)methylamino]pyridine-3-carboxylic acid
SMILESCc1cc(NCc2nncn2C)c(C(=O)O)cn1
InChIInChI=1S/C11H13N5O2/c1-7-3-9(8(4-12-7)11(17)18)13-5-10-15-14-6-16(10)2/h3-4,6H,5H2,1-2H3,(H,12,13)(H,17,18)
InChIKeyHHQHKVPJNLNHDU-UHFFFAOYSA-N
MW247.26 g/mol
LogP0.83
Rot. Bonds4

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

6-methyl-4-[(4-methyl-1,2,4-triazol-3-yl)methylamino]pyridine-3-carboxylic acid (PubChem CID 81244751) has the molecular formula C11H13N5O2 and a molecular weight of 247.26 g/mol. Its IUPAC name is 6-methyl-4-[(4-methyl-1,2,4-triazol-3-yl)methylamino]pyridine-3-carboxylic acid.

Molecular Properties

Compound Name6-methyl-4-[(4-methyl-1,2,4-triazol-3-yl)methylamino]pyridine-3-carboxylic acid
PubChem CID81244751
Molecular FormulaC11H13N5O2
Molecular Weight247.26 g/mol
Exact Mass247.11
IUPAC Name6-methyl-4-[(4-methyl-1,2,4-triazol-3-yl)methylamino]pyridine-3-carboxylic acid
SMILESCc1cc(NCc2nncn2C)c(C(=O)O)cn1
InChIInChI=1S/C11H13N5O2/c1-7-3-9(8(4-12-7)11(17)18)13-5-10-15-14-6-16(10)2/h3-4,6H,5H2,1-2H3,(H,12,13)(H,17,18)
InChIKeyHHQHKVPJNLNHDU-UHFFFAOYSA-N
XLogP0.83
TPSA92.93 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500247.26
LogP ≤ 50.83
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

4-[(4-ethyl-1,2,4-triazol-3-yl)methylamino]-6-methylpyridine-3-carboxylic acid
CID 114170871
4-(ethylamino)-6-methyl-N-[(4-methyl-1,2,4-triazol-3-yl)methyl]pyridine-3-carboxamide
CID 81243046
6-methyl-N-[(4-methyl-1,2,4-triazol-3-yl)methyl]-4-(propylamino)pyridine-3-carboxamide
CID 81238764
4-methoxy-2-[(4-methyl-1,2,4-triazol-3-yl)methylamino]benzoic acid
CID 81304952
6-methyl-4-(prop-2-ynylamino)pyridine-3-carboxylic acid
CID 81232269
6-methyl-4-(pyridin-4-ylmethylamino)pyridine-3-carboxylic acid
CID 81232379
4-(but-3-ynylamino)-6-methylpyridine-3-carboxylic acid
CID 81244685
6-methyl-4-[(4-methylthiophen-3-yl)methylamino]pyridine-3-carboxylic acid
CID 81244511
4-(2,3-dimethylbutylamino)-6-methylpyridine-3-carboxylic acid
CID 81244589
4-[(2-chlorophenyl)methylamino]-6-methylpyridine-3-carboxylic acid
CID 81233545
3-amino-2-[(4-methyl-1,2,4-triazol-3-yl)methylamino]benzamide
CID 112578762
4-[[2-(dimethylamino)-2-oxoethyl]amino]-6-methylpyridine-3-carboxylic acid
CID 81233393

Frequently Asked Questions

What is the IUPAC name of 6-methyl-4-[(4-methyl-1,2,4-triazol-3-yl)methylamino]pyridine-3-carboxylic acid?
The IUPAC name of 6-methyl-4-[(4-methyl-1,2,4-triazol-3-yl)methylamino]pyridine-3-carboxylic acid (CID 81244751) is 6-methyl-4-[(4-methyl-1,2,4-triazol-3-yl)methylamino]pyridine-3-carboxylic acid.
What is the SMILES notation for 6-methyl-4-[(4-methyl-1,2,4-triazol-3-yl)methylamino]pyridine-3-carboxylic acid?
The canonical SMILES for 6-methyl-4-[(4-methyl-1,2,4-triazol-3-yl)methylamino]pyridine-3-carboxylic acid is Cc1cc(NCc2nncn2C)c(C(=O)O)cn1.
What is the InChIKey of 6-methyl-4-[(4-methyl-1,2,4-triazol-3-yl)methylamino]pyridine-3-carboxylic acid?
The InChIKey is HHQHKVPJNLNHDU-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H13N5O2/c1-7-3-9(8(4-12-7)11(17)18)13-5-10-15-14-6-16(10)2/h3-4,6H,5H2,1-2H3,(H,12,13)(H,17,18).
What are the key properties of 6-methyl-4-[(4-methyl-1,2,4-triazol-3-yl)methylamino]pyridine-3-carboxylic acid?
6-methyl-4-[(4-methyl-1,2,4-triazol-3-yl)methylamino]pyridine-3-carboxylic acid has a molecular weight of 247.26 g/mol, XLogP of 0.83, 4 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 6-methyl-4-[(4-methyl-1,2,4-triazol-3-yl)methylamino]pyridine-3-carboxylic acid is sourced from PubChem (CID 81244751), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).