2-(5-aminotetrazol-1-yl)-1-(3-ethyl-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridin-5-yl)ethanone

C11H16N8O — CID 131900832

IUPAC2-(5-aminotetrazol-1-yl)-1-(3-ethyl-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridin-5-yl)ethanone
SMILESCCc1n[nH]c2c1CN(C(=O)Cn1nnnc1N)CC2
InChIInChI=1S/C11H16N8O/c1-2-8-7-5-18(4-3-9(7)14-13-8)10(20)6-19-11(12)15-16-17-19/h2-6H2,1H3,(H,13,14)(H2,12,15,17)
InChIKeyAHGWEFGFSQEAMO-UHFFFAOYSA-N
MW276.30 g/mol
LogP-0.87
Rot. Bonds3

About 2-(5-aminotetrazol-1-yl)-1-(3-ethyl-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridin-5-yl)ethanone

2-(5-aminotetrazol-1-yl)-1-(3-ethyl-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridin-5-yl)ethanone (PubChem CID 131900832) has the molecular formula C11H16N8O and a molecular weight of 276.30 g/mol. Its IUPAC name is 2-(5-aminotetrazol-1-yl)-1-(3-ethyl-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridin-5-yl)ethanone.

Molecular Properties

Compound Name2-(5-aminotetrazol-1-yl)-1-(3-ethyl-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridin-5-yl)ethanone
PubChem CID131900832
Molecular FormulaC11H16N8O
Molecular Weight276.30 g/mol
Exact Mass276.14
IUPAC Name2-(5-aminotetrazol-1-yl)-1-(3-ethyl-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridin-5-yl)ethanone
SMILESCCc1n[nH]c2c1CN(C(=O)Cn1nnnc1N)CC2
InChIInChI=1S/C11H16N8O/c1-2-8-7-5-18(4-3-9(7)14-13-8)10(20)6-19-11(12)15-16-17-19/h2-6H2,1H3,(H,13,14)(H2,12,15,17)
InChIKeyAHGWEFGFSQEAMO-UHFFFAOYSA-N
XLogP-0.87
TPSA118.61 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.30
LogP ≤ 5-0.87
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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Related Compounds

(2-ethylpyrimidin-5-yl)-(3-ethyl-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridin-5-yl)methanone
CID 72869094
2-(2-cyclopropylbenzimidazol-1-yl)-1-(3-ethyl-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridin-5-yl)ethanone
CID 39781741
5-[3-(3-ethyl-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridin-5-yl)-3-oxopropyl]imidazolidine-2,4-dione
CID 70739520
1-(3-ethyl-1,4,5,7-tetrahydropyrazolo[5,4-c]pyridin-6-yl)-2,2-dimethylpropan-1-one
CID 118493473
methyl 5-[2-(benzotriazol-1-yl)acetyl]-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridine-3-carboxylate
CID 166236287
(3-ethyl-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridin-5-yl)-(4-methyl-3-pyrrol-1-ylphenyl)methanone
CID 39755711
3-[2-(3-tert-butyl-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridin-5-yl)-2-oxoethyl]-1,2,3-benzotriazin-4-one
CID 31134915
6-[4-(3-ethyl-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridine-5-carbonyl)phenyl]-2-methylpyridazin-3-one
CID 122566176
[3-[6-(ethylamino)pyridazin-3-yl]phenyl]-(3-ethyl-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridin-5-yl)methanone
CID 122570445
1-(6,7-dimethoxy-3,4-dihydro-1H-isoquinolin-2-yl)-2-(5-ethyltetrazol-1-yl)ethanone
CID 56818213
3-ethyl-5-(methoxymethyl)-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridine
CID 118493373
2-(5-aminotetrazol-1-yl)acetamide
CID 55281963

Frequently Asked Questions

What is the IUPAC name of 2-(5-aminotetrazol-1-yl)-1-(3-ethyl-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridin-5-yl)ethanone?
The IUPAC name of 2-(5-aminotetrazol-1-yl)-1-(3-ethyl-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridin-5-yl)ethanone (CID 131900832) is 2-(5-aminotetrazol-1-yl)-1-(3-ethyl-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridin-5-yl)ethanone.
What is the SMILES notation for 2-(5-aminotetrazol-1-yl)-1-(3-ethyl-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridin-5-yl)ethanone?
The canonical SMILES for 2-(5-aminotetrazol-1-yl)-1-(3-ethyl-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridin-5-yl)ethanone is CCc1n[nH]c2c1CN(C(=O)Cn1nnnc1N)CC2.
What is the InChIKey of 2-(5-aminotetrazol-1-yl)-1-(3-ethyl-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridin-5-yl)ethanone?
The InChIKey is AHGWEFGFSQEAMO-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H16N8O/c1-2-8-7-5-18(4-3-9(7)14-13-8)10(20)6-19-11(12)15-16-17-19/h2-6H2,1H3,(H,13,14)(H2,12,15,17).
What are the key properties of 2-(5-aminotetrazol-1-yl)-1-(3-ethyl-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridin-5-yl)ethanone?
2-(5-aminotetrazol-1-yl)-1-(3-ethyl-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridin-5-yl)ethanone has a molecular weight of 276.30 g/mol, XLogP of -0.87, 3 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(5-aminotetrazol-1-yl)-1-(3-ethyl-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridin-5-yl)ethanone is sourced from PubChem (CID 131900832), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).