N-(3-propan-2-yl-[1,2,4]triazolo[4,3-a]pyridin-6-yl)-2-(tetrazol-1-yl)acetamide

C12H14N8O — CID 126779440

IUPACN-(3-propan-2-yl-[1,2,4]triazolo[4,3-a]pyridin-6-yl)-2-(tetrazol-1-yl)acetamide
SMILESCC(C)c1nnc2ccc(NC(=O)Cn3cnnn3)cn12
InChIInChI=1S/C12H14N8O/c1-8(2)12-16-15-10-4-3-9(5-20(10)12)14-11(21)6-19-7-13-17-18-19/h3-5,7-8H,6H2,1-2H3,(H,14,21)
InChIKeyAKRMVTAPWLHTTP-UHFFFAOYSA-N
MW286.30 g/mol
LogP0.48
Rot. Bonds4

About N-(3-propan-2-yl-[1,2,4]triazolo[4,3-a]pyridin-6-yl)-2-(tetrazol-1-yl)acetamide

N-(3-propan-2-yl-[1,2,4]triazolo[4,3-a]pyridin-6-yl)-2-(tetrazol-1-yl)acetamide (PubChem CID 126779440) has the molecular formula C12H14N8O and a molecular weight of 286.30 g/mol. Its IUPAC name is N-(3-propan-2-yl-[1,2,4]triazolo[4,3-a]pyridin-6-yl)-2-(tetrazol-1-yl)acetamide.

Molecular Properties

Compound NameN-(3-propan-2-yl-[1,2,4]triazolo[4,3-a]pyridin-6-yl)-2-(tetrazol-1-yl)acetamide
PubChem CID126779440
Molecular FormulaC12H14N8O
Molecular Weight286.30 g/mol
Exact Mass286.13
IUPAC NameN-(3-propan-2-yl-[1,2,4]triazolo[4,3-a]pyridin-6-yl)-2-(tetrazol-1-yl)acetamide
SMILESCC(C)c1nnc2ccc(NC(=O)Cn3cnnn3)cn12
InChIInChI=1S/C12H14N8O/c1-8(2)12-16-15-10-4-3-9(5-20(10)12)14-11(21)6-19-7-13-17-18-19/h3-5,7-8H,6H2,1-2H3,(H,14,21)
InChIKeyAKRMVTAPWLHTTP-UHFFFAOYSA-N
XLogP0.48
TPSA102.89 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500286.30
LogP ≤ 50.48
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

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Related Compounds

3-(3-methylimidazol-4-yl)-N-(3-propan-2-yl-[1,2,4]triazolo[4,3-a]pyridin-6-yl)propanamide
CID 126767399
N-propan-2-yl-4-[[2-(tetrazol-1-yl)acetyl]amino]benzamide
CID 60533950
N-[4-(diethylamino)phenyl]-2-(tetrazol-1-yl)acetamide
CID 78776629
propan-2-yl 4-[[2-(tetrazol-1-yl)acetyl]amino]benzoate
CID 17404193
N-phenyl-2-(tetrazol-1-yl)acetamide
CID 24977364
N-[2,6-di(propan-2-yl)phenyl]-2-(tetrazol-1-yl)acetamide
CID 8778733
N-(3-hydroxy-4-methylphenyl)-2-(tetrazol-1-yl)acetamide
CID 64795132
N-(2-propan-2-ylpyrazol-3-yl)-2-(tetrazol-1-yl)acetamide
CID 112793457
2-methyl-3-[methyl-[(3-propan-2-yl-[1,2,4]triazolo[4,3-a]pyridin-6-yl)carbamoyl]amino]propanoic acid
CID 122090958
3-(5-tert-butyl-1,3-oxazol-2-yl)-N-(3-propan-2-yl-[1,2,4]triazolo[4,3-a]pyridin-6-yl)propanamide
CID 126767158
N-(2-propan-2-ylsulfanylphenyl)-2-(tetrazol-1-yl)acetamide
CID 167901485
3-[4-[[2-(tetrazol-1-yl)acetyl]amino]phenyl]propanoic acid
CID 81369358

Frequently Asked Questions

What is the IUPAC name of N-(3-propan-2-yl-[1,2,4]triazolo[4,3-a]pyridin-6-yl)-2-(tetrazol-1-yl)acetamide?
The IUPAC name of N-(3-propan-2-yl-[1,2,4]triazolo[4,3-a]pyridin-6-yl)-2-(tetrazol-1-yl)acetamide (CID 126779440) is N-(3-propan-2-yl-[1,2,4]triazolo[4,3-a]pyridin-6-yl)-2-(tetrazol-1-yl)acetamide.
What is the SMILES notation for N-(3-propan-2-yl-[1,2,4]triazolo[4,3-a]pyridin-6-yl)-2-(tetrazol-1-yl)acetamide?
The canonical SMILES for N-(3-propan-2-yl-[1,2,4]triazolo[4,3-a]pyridin-6-yl)-2-(tetrazol-1-yl)acetamide is CC(C)c1nnc2ccc(NC(=O)Cn3cnnn3)cn12.
What is the InChIKey of N-(3-propan-2-yl-[1,2,4]triazolo[4,3-a]pyridin-6-yl)-2-(tetrazol-1-yl)acetamide?
The InChIKey is AKRMVTAPWLHTTP-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H14N8O/c1-8(2)12-16-15-10-4-3-9(5-20(10)12)14-11(21)6-19-7-13-17-18-19/h3-5,7-8H,6H2,1-2H3,(H,14,21).
What are the key properties of N-(3-propan-2-yl-[1,2,4]triazolo[4,3-a]pyridin-6-yl)-2-(tetrazol-1-yl)acetamide?
N-(3-propan-2-yl-[1,2,4]triazolo[4,3-a]pyridin-6-yl)-2-(tetrazol-1-yl)acetamide has a molecular weight of 286.30 g/mol, XLogP of 0.48, 4 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-propan-2-yl-[1,2,4]triazolo[4,3-a]pyridin-6-yl)-2-(tetrazol-1-yl)acetamide is sourced from PubChem (CID 126779440), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).