2-[1-(1-methylpyrazol-4-yl)-5-(5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridin-6-yl)-1,2,4-triazol-3-yl]acetamide

C14H17N9O — CID 154819491

IUPAC2-[1-(1-methylpyrazol-4-yl)-5-(5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridin-6-yl)-1,2,4-triazol-3-yl]acetamide
SMILESCn1cc(-n2nc(CC(N)=O)nc2C2CCc3ncnn3C2)cn1
InChIInChI=1S/C14H17N9O/c1-21-7-10(5-17-21)23-14(19-12(20-23)4-11(15)24)9-2-3-13-16-8-18-22(13)6-9/h5,7-9H,2-4,6H2,1H3,(H2,15,24)
InChIKeyXPEIOMZZVHJQCE-UHFFFAOYSA-N
MW327.35 g/mol
LogP-0.65
Rot. Bonds4

About 2-[1-(1-methylpyrazol-4-yl)-5-(5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridin-6-yl)-1,2,4-triazol-3-yl]acetamide

2-[1-(1-methylpyrazol-4-yl)-5-(5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridin-6-yl)-1,2,4-triazol-3-yl]acetamide (PubChem CID 154819491) has the molecular formula C14H17N9O and a molecular weight of 327.35 g/mol. Its IUPAC name is 2-[1-(1-methylpyrazol-4-yl)-5-(5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridin-6-yl)-1,2,4-triazol-3-yl]acetamide.

Molecular Properties

Compound Name2-[1-(1-methylpyrazol-4-yl)-5-(5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridin-6-yl)-1,2,4-triazol-3-yl]acetamide
PubChem CID154819491
Molecular FormulaC14H17N9O
Molecular Weight327.35 g/mol
Exact Mass327.16
IUPAC Name2-[1-(1-methylpyrazol-4-yl)-5-(5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridin-6-yl)-1,2,4-triazol-3-yl]acetamide
SMILESCn1cc(-n2nc(CC(N)=O)nc2C2CCc3ncnn3C2)cn1
InChIInChI=1S/C14H17N9O/c1-21-7-10(5-17-21)23-14(19-12(20-23)4-11(15)24)9-2-3-13-16-8-18-22(13)6-9/h5,7-9H,2-4,6H2,1H3,(H2,15,24)
InChIKeyXPEIOMZZVHJQCE-UHFFFAOYSA-N
XLogP-0.65
TPSA122.33 Ų
H-Bond Donors1
H-Bond Acceptors9
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500327.35
LogP ≤ 5-0.65
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 109

Analyze 2-[1-(1-methylpyrazol-4-yl)-5-(5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridin-6-yl)-1,2,4-triazol-3-yl]acetamide with MolForge

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Related Compounds

6-[2-(1-methylpyrazol-4-yl)-5-phenyl-1,2,4-triazol-3-yl]-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridine
CID 146039084
formic acid;2-[1-(2-phenylethyl)-5-(5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridin-6-yl)-1,2,4-triazol-3-yl]acetamide
CID 155937887
N-methyl-2-[1-(2-methylpyrazol-3-yl)-5-(5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridin-6-yl)-1,2,4-triazol-3-yl]acetamide
CID 146038175
2-[1-(2,3-dihydro-1,4-benzodioxin-6-yl)-5-(5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridin-7-yl)-1,2,4-triazol-3-yl]acetamide
CID 146039708
2-[1-(2,3-dimethylphenyl)-5-(5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridin-7-yl)-1,2,4-triazol-3-yl]acetamide
CID 146040623
2-[5-(5-methyl-4-oxo-6,7-dihydropyrazolo[1,5-a]pyrazin-2-yl)-1-(1-methylpyrazol-4-yl)-1,2,4-triazol-3-yl]acetamide
CID 146037996
4-[1-benzyl-5-(5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridin-6-yl)-1,2,4-triazol-3-yl]benzamide
CID 154565021
3-cyclopentyl-1-(1-methylpyrazol-4-yl)-5-[(3S)-1-methylpyrrolidin-3-yl]-1,2,4-triazole
CID 167905383
3-(5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridin-6-yl)propanoic acid
CID 83879292
2-ethoxy-1-[4-[2-(1-methylpyrazol-4-yl)-5-phenyl-1,2,4-triazol-3-yl]piperidin-1-yl]ethanone
CID 138383555
2-[5-[(1S,3S,4S)-4-amino-3-methoxycyclohexyl]-1-(4-methoxyphenyl)-1,2,4-triazol-3-yl]acetamide
CID 155498067
6-methyl-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridine
CID 82567562

Frequently Asked Questions

What is the IUPAC name of 2-[1-(1-methylpyrazol-4-yl)-5-(5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridin-6-yl)-1,2,4-triazol-3-yl]acetamide?
The IUPAC name of 2-[1-(1-methylpyrazol-4-yl)-5-(5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridin-6-yl)-1,2,4-triazol-3-yl]acetamide (CID 154819491) is 2-[1-(1-methylpyrazol-4-yl)-5-(5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridin-6-yl)-1,2,4-triazol-3-yl]acetamide.
What is the SMILES notation for 2-[1-(1-methylpyrazol-4-yl)-5-(5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridin-6-yl)-1,2,4-triazol-3-yl]acetamide?
The canonical SMILES for 2-[1-(1-methylpyrazol-4-yl)-5-(5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridin-6-yl)-1,2,4-triazol-3-yl]acetamide is Cn1cc(-n2nc(CC(N)=O)nc2C2CCc3ncnn3C2)cn1.
What is the InChIKey of 2-[1-(1-methylpyrazol-4-yl)-5-(5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridin-6-yl)-1,2,4-triazol-3-yl]acetamide?
The InChIKey is XPEIOMZZVHJQCE-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17N9O/c1-21-7-10(5-17-21)23-14(19-12(20-23)4-11(15)24)9-2-3-13-16-8-18-22(13)6-9/h5,7-9H,2-4,6H2,1H3,(H2,15,24).
What are the key properties of 2-[1-(1-methylpyrazol-4-yl)-5-(5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridin-6-yl)-1,2,4-triazol-3-yl]acetamide?
2-[1-(1-methylpyrazol-4-yl)-5-(5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridin-6-yl)-1,2,4-triazol-3-yl]acetamide has a molecular weight of 327.35 g/mol, XLogP of -0.65, 4 rotatable bonds, 1 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1-(1-methylpyrazol-4-yl)-5-(5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridin-6-yl)-1,2,4-triazol-3-yl]acetamide is sourced from PubChem (CID 154819491), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).