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

C14H21N7O — CID 146044277

IUPAC2-[1-butyl-5-(5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridin-7-yl)-1,2,4-triazol-3-yl]acetamide
SMILESCCCCn1nc(CC(N)=O)nc1C1CCn2ncnc2C1
InChIInChI=1S/C14H21N7O/c1-2-3-5-21-14(18-12(19-21)8-11(15)22)10-4-6-20-13(7-10)16-9-17-20/h9-10H,2-8H2,1H3,(H2,15,22)
InChIKeyCHUNKEZCEYDHTO-UHFFFAOYSA-N
MW303.37 g/mol
LogP0.43
Rot. Bonds6

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

2-[1-butyl-5-(5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridin-7-yl)-1,2,4-triazol-3-yl]acetamide (PubChem CID 146044277) has the molecular formula C14H21N7O and a molecular weight of 303.37 g/mol. Its IUPAC name is 2-[1-butyl-5-(5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridin-7-yl)-1,2,4-triazol-3-yl]acetamide.

Molecular Properties

Compound Name2-[1-butyl-5-(5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridin-7-yl)-1,2,4-triazol-3-yl]acetamide
PubChem CID146044277
Molecular FormulaC14H21N7O
Molecular Weight303.37 g/mol
Exact Mass303.18
IUPAC Name2-[1-butyl-5-(5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridin-7-yl)-1,2,4-triazol-3-yl]acetamide
SMILESCCCCn1nc(CC(N)=O)nc1C1CCn2ncnc2C1
InChIInChI=1S/C14H21N7O/c1-2-3-5-21-14(18-12(19-21)8-11(15)22)10-4-6-20-13(7-10)16-9-17-20/h9-10H,2-8H2,1H3,(H2,15,22)
InChIKeyCHUNKEZCEYDHTO-UHFFFAOYSA-N
XLogP0.43
TPSA104.51 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500303.37
LogP ≤ 50.43
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
N,N-dimethyl-1-(4-methyl-5-{1-[3-(1H-1,2,4-triazol-1-yl)propanoyl]piperidin-4-yl}-4H-1,2,4-triazol-3-yl)methanamine
CID 70731455
1-(4-ethyl-5-{1-[3-(1H-tetrazol-1-yl)propanoyl]piperidin-4-yl}-4H-1,2,4-triazol-3-yl)-N,N-dimethylmethanamine
CID 70788840
1-acetyl-4-[4-ethyl-5-(1H-1,2,4-triazol-1-ylmethyl)-4H-1,2,4-triazol-3-yl]piperidine
CID 72839776
(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
N-(3-{4-[4-methyl-5-(1H-1,2,4-triazol-1-ylmethyl)-4H-1,2,4-triazol-3-yl]piperidin-1-yl}-3-oxopropyl)acetamide
CID 72862444
2-[5-[(4-methylpiperidin-1-yl)methyl]tetrazol-1-yl]-N-[2-(2-methyl-1,2,4-triazol-3-yl)ethyl]acetamide
CID 72876131
2-{1-cyclohexyl-5-[1-(1H-1,2,4-triazol-1-yl)ethyl]-1H-1,2,4-triazol-3-yl}acetamide
CID 72887213
6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl-(2-methylpyrrolidin-3-yl)methanone
CID 79385316
N-[2-(1-methyl-1,2,4-triazol-3-yl)ethyl]piperidine-4-carboxamide
CID 80681992
3-(4H-1,2,4-triazol-3-yl)-1-[3-(1H-1,2,4-triazol-1-yl)propanoyl]piperidine
CID 90652253

Frequently Asked Questions

What is the IUPAC name of 2-[1-butyl-5-(5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridin-7-yl)-1,2,4-triazol-3-yl]acetamide?
The IUPAC name of 2-[1-butyl-5-(5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridin-7-yl)-1,2,4-triazol-3-yl]acetamide (CID 146044277) is 2-[1-butyl-5-(5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridin-7-yl)-1,2,4-triazol-3-yl]acetamide.
What is the SMILES notation for 2-[1-butyl-5-(5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridin-7-yl)-1,2,4-triazol-3-yl]acetamide?
The canonical SMILES for 2-[1-butyl-5-(5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridin-7-yl)-1,2,4-triazol-3-yl]acetamide is CCCCn1nc(CC(N)=O)nc1C1CCn2ncnc2C1.
What is the InChIKey of 2-[1-butyl-5-(5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridin-7-yl)-1,2,4-triazol-3-yl]acetamide?
The InChIKey is CHUNKEZCEYDHTO-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H21N7O/c1-2-3-5-21-14(18-12(19-21)8-11(15)22)10-4-6-20-13(7-10)16-9-17-20/h9-10H,2-8H2,1H3,(H2,15,22).
What are the key properties of 2-[1-butyl-5-(5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridin-7-yl)-1,2,4-triazol-3-yl]acetamide?
2-[1-butyl-5-(5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridin-7-yl)-1,2,4-triazol-3-yl]acetamide has a molecular weight of 303.37 g/mol, XLogP of 0.43, 6 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1-butyl-5-(5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridin-7-yl)-1,2,4-triazol-3-yl]acetamide is sourced from PubChem (CID 146044277), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).