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

C14H21N7O — CID 146039629

IUPAC2-[1-tert-butyl-5-(5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridin-6-yl)-1,2,4-triazol-3-yl]acetamide
SMILESCC(C)(C)n1nc(CC(N)=O)nc1C1CCc2ncnn2C1
InChIInChI=1S/C14H21N7O/c1-14(2,3)21-13(18-11(19-21)6-10(15)22)9-4-5-12-16-8-17-20(12)7-9/h8-9H,4-7H2,1-3H3,(H2,15,22)
InChIKeyKXYSDXIDWBDGDQ-UHFFFAOYSA-N
MW303.37 g/mol
LogP0.38
Rot. Bonds3

About 2-[1-tert-butyl-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-tert-butyl-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 146039629) has the molecular formula C14H21N7O and a molecular weight of 303.37 g/mol. Its IUPAC name is 2-[1-tert-butyl-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-tert-butyl-5-(5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridin-6-yl)-1,2,4-triazol-3-yl]acetamide
PubChem CID146039629
Molecular FormulaC14H21N7O
Molecular Weight303.37 g/mol
Exact Mass303.18
IUPAC Name2-[1-tert-butyl-5-(5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridin-6-yl)-1,2,4-triazol-3-yl]acetamide
SMILESCC(C)(C)n1nc(CC(N)=O)nc1C1CCc2ncnn2C1
InChIInChI=1S/C14H21N7O/c1-14(2,3)21-13(18-11(19-21)6-10(15)22)9-4-5-12-16-8-17-20(12)7-9/h8-9H,4-7H2,1-3H3,(H2,15,22)
InChIKeyKXYSDXIDWBDGDQ-UHFFFAOYSA-N
XLogP0.38
TPSA104.51 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500303.37
LogP ≤ 50.38
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Related Compounds

N-methyl-2-[5-(5,6,7,8-tetrahydro[1,2,4]triazolo[1,5-a]pyridin-7-yl)-1-(2,2,2-trifluoroethyl)-1H-1,2,4-triazol-3-yl]acetamide
CID 146038154
2-[2'-methyl-5-(5,6,7,8-tetrahydro[1,2,4]triazolo[1,5-a]pyridin-6-yl)-5'-(trifluoromethyl)-2'H-1,3'-bi-1,2,4-triazol-3-yl]acetamide
CID 154817800
3-(Tert-butylamino)-1-[3-(4-methyl-1,2,4-triazol-3-yl)piperidin-1-yl]propan-1-one
CID 60963143
3-Amino-3-methyl-1-[3-(4-methyl-4H-1,2,4-triazol-3-yl)piperidin-1-yl]butan-1-one
CID 64679772
(3-{4-[4-ethyl-5-(1H-1,2,4-triazol-1-ylmethyl)-4H-1,2,4-triazol-3-yl]piperidin-1-yl}-3-oxopropyl)amine
CID 72850529
(2-{4-[4-ethyl-5-(1H-1,2,4-triazol-1-ylmethyl)-4H-1,2,4-triazol-3-yl]-1-piperidinyl}-1,1-dimethyl-2-oxoethyl)amine hydrochloride
CID 72861402
2-{1-cyclohexyl-5-[1-(1H-1,2,4-triazol-1-yl)ethyl]-1H-1,2,4-triazol-3-yl}acetamide
CID 72887213
3-(4H-1,2,4-triazol-3-yl)-1-[3-(1H-1,2,4-triazol-1-yl)propanoyl]piperidine
CID 90652253
2-[1-cyclohexyl-5-[(1S)-1-(1,2,4-triazol-1-yl)ethyl]-1,2,4-triazol-3-yl]acetamide
CID 97277021
2-[1-cyclohexyl-5-[(1R)-1-(1,2,4-triazol-1-yl)ethyl]-1,2,4-triazol-3-yl]acetamide
CID 97277022
3-(1,2,4-triazol-1-yl)-1-[(3R)-3-(1H-1,2,4-triazol-5-yl)piperidin-1-yl]propan-1-one
CID 99986772
3-(1,2,4-triazol-1-yl)-1-[(3S)-3-(1H-1,2,4-triazol-5-yl)piperidin-1-yl]propan-1-one
CID 99986777

Frequently Asked Questions

What is the IUPAC name of 2-[1-tert-butyl-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-tert-butyl-5-(5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridin-6-yl)-1,2,4-triazol-3-yl]acetamide (CID 146039629) is 2-[1-tert-butyl-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-tert-butyl-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-tert-butyl-5-(5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridin-6-yl)-1,2,4-triazol-3-yl]acetamide is CC(C)(C)n1nc(CC(N)=O)nc1C1CCc2ncnn2C1.
What is the InChIKey of 2-[1-tert-butyl-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 KXYSDXIDWBDGDQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H21N7O/c1-14(2,3)21-13(18-11(19-21)6-10(15)22)9-4-5-12-16-8-17-20(12)7-9/h8-9H,4-7H2,1-3H3,(H2,15,22).
What are the key properties of 2-[1-tert-butyl-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-tert-butyl-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 303.37 g/mol, XLogP of 0.38, 3 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1-tert-butyl-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 146039629), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).