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

C15H15N7O2 — CID 167775996

IUPAC6-[1-[(4-cyclopropyl-5-methyl-1,2,4-triazol-3-yl)methyl]triazol-4-yl]pyridine-3-carboxylic acid
SMILESCc1nnc(Cn2cc(-c3ccc(C(=O)O)cn3)nn2)n1C1CC1
InChIInChI=1S/C15H15N7O2/c1-9-17-19-14(22(9)11-3-4-11)8-21-7-13(18-20-21)12-5-2-10(6-16-12)15(23)24/h2,5-7,11H,3-4,8H2,1H3,(H,23,24)
InChIKeyCJPMRVINXPVCIS-UHFFFAOYSA-N
MW325.33 g/mol
LogP1.32
Rot. Bonds5

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

6-[1-[(4-cyclopropyl-5-methyl-1,2,4-triazol-3-yl)methyl]triazol-4-yl]pyridine-3-carboxylic acid (PubChem CID 167775996) has the molecular formula C15H15N7O2 and a molecular weight of 325.33 g/mol. Its IUPAC name is 6-[1-[(4-cyclopropyl-5-methyl-1,2,4-triazol-3-yl)methyl]triazol-4-yl]pyridine-3-carboxylic acid.

Molecular Properties

Compound Name6-[1-[(4-cyclopropyl-5-methyl-1,2,4-triazol-3-yl)methyl]triazol-4-yl]pyridine-3-carboxylic acid
PubChem CID167775996
Molecular FormulaC15H15N7O2
Molecular Weight325.33 g/mol
Exact Mass325.13
IUPAC Name6-[1-[(4-cyclopropyl-5-methyl-1,2,4-triazol-3-yl)methyl]triazol-4-yl]pyridine-3-carboxylic acid
SMILESCc1nnc(Cn2cc(-c3ccc(C(=O)O)cn3)nn2)n1C1CC1
InChIInChI=1S/C15H15N7O2/c1-9-17-19-14(22(9)11-3-4-11)8-21-7-13(18-20-21)12-5-2-10(6-16-12)15(23)24/h2,5-7,11H,3-4,8H2,1H3,(H,23,24)
InChIKeyCJPMRVINXPVCIS-UHFFFAOYSA-N
XLogP1.32
TPSA111.61 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500325.33
LogP ≤ 51.32
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

Analyze 6-[1-[(4-cyclopropyl-5-methyl-1,2,4-triazol-3-yl)methyl]triazol-4-yl]pyridine-3-carboxylic acid with MolForge

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Related Compounds

6-[1-[2-[2-[2-[2-[(1-methylpyrazole-4-carbonyl)amino]ethoxy]ethoxy]ethoxy]ethyl]triazol-4-yl]pyridine-3-carboxylic acid
CID 146147087
6-[1-[2,2-dimethyl-3-[(1-methylpyrazole-4-carbonyl)amino]propyl]triazol-4-yl]pyridine-3-carboxylic acid
CID 146147075
6-[1-[[4-hydroxy-1-(1-methylpyrazole-4-carbonyl)piperidin-4-yl]methyl]triazol-4-yl]pyridine-3-carboxylic acid
CID 146147079
(4-cyclopropyl-5-methyl-1,2,4-triazol-3-yl)methyl 4-methoxybenzoate
CID 75399835
1-[(4,5-dimethyl-1,2,4-triazol-3-yl)methyl]triazole-4-carboxylic acid
CID 62061064
4-cyclopropyl-3-[[3-(furan-2-yl)pyrazol-1-yl]methyl]-5-methyl-1,2,4-triazole
CID 75442379
[1-[(4-cyclopropyl-5-methyl-1,2,4-triazol-3-yl)methyl]piperidin-4-yl]methanol
CID 110912855
2-[(4-cyclopropyl-5-methyl-1,2,4-triazol-3-yl)sulfanyl]-1-(4-hydroxyphenyl)ethanone
CID 9378001
N-[(4-cyclopropyl-5-methyl-1,2,4-triazol-3-yl)methyl]-2,2-dimethylbutanamide
CID 86784884
trans-(1R,2R)-2-[(2R)-1-[(4-cyclopropyl-5-methyl-1,2,4-triazol-3-yl)methyl]pyrrolidin-2-yl]cyclohexan-1-ol
CID 129349934
2-[1-[(4,5-dimethyl-1,2,4-triazol-3-yl)methyl]triazol-4-yl]acetic acid
CID 107461851
[5-chloro-6-[(4-cyclopropyl-5-methyl-1,2,4-triazol-3-yl)methylamino]-3-pyridinyl]-morpholin-4-ylmethanone
CID 126803255

Frequently Asked Questions

What is the IUPAC name of 6-[1-[(4-cyclopropyl-5-methyl-1,2,4-triazol-3-yl)methyl]triazol-4-yl]pyridine-3-carboxylic acid?
The IUPAC name of 6-[1-[(4-cyclopropyl-5-methyl-1,2,4-triazol-3-yl)methyl]triazol-4-yl]pyridine-3-carboxylic acid (CID 167775996) is 6-[1-[(4-cyclopropyl-5-methyl-1,2,4-triazol-3-yl)methyl]triazol-4-yl]pyridine-3-carboxylic acid.
What is the SMILES notation for 6-[1-[(4-cyclopropyl-5-methyl-1,2,4-triazol-3-yl)methyl]triazol-4-yl]pyridine-3-carboxylic acid?
The canonical SMILES for 6-[1-[(4-cyclopropyl-5-methyl-1,2,4-triazol-3-yl)methyl]triazol-4-yl]pyridine-3-carboxylic acid is Cc1nnc(Cn2cc(-c3ccc(C(=O)O)cn3)nn2)n1C1CC1.
What is the InChIKey of 6-[1-[(4-cyclopropyl-5-methyl-1,2,4-triazol-3-yl)methyl]triazol-4-yl]pyridine-3-carboxylic acid?
The InChIKey is CJPMRVINXPVCIS-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H15N7O2/c1-9-17-19-14(22(9)11-3-4-11)8-21-7-13(18-20-21)12-5-2-10(6-16-12)15(23)24/h2,5-7,11H,3-4,8H2,1H3,(H,23,24).
What are the key properties of 6-[1-[(4-cyclopropyl-5-methyl-1,2,4-triazol-3-yl)methyl]triazol-4-yl]pyridine-3-carboxylic acid?
6-[1-[(4-cyclopropyl-5-methyl-1,2,4-triazol-3-yl)methyl]triazol-4-yl]pyridine-3-carboxylic acid has a molecular weight of 325.33 g/mol, XLogP of 1.32, 5 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[1-[(4-cyclopropyl-5-methyl-1,2,4-triazol-3-yl)methyl]triazol-4-yl]pyridine-3-carboxylic acid is sourced from PubChem (CID 167775996), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).