3-nitro-2-(1-propan-2-yltetrazol-5-yl)sulfanylimidazo[1,2-a]pyridine

C11H11N7O2S — CID 18095953

IUPAC3-nitro-2-(1-propan-2-yltetrazol-5-yl)sulfanylimidazo[1,2-a]pyridine
SMILESCC(C)n1nnnc1Sc1nc2ccccn2c1[N+](=O)[O-]
InChIInChI=1S/C11H11N7O2S/c1-7(2)17-11(13-14-15-17)21-9-10(18(19)20)16-6-4-3-5-8(16)12-9/h3-7H,1-2H3
InChIKeyGQWDJHAYKIFYHZ-UHFFFAOYSA-N
MW305.32 g/mol
LogP1.96
Rot. Bonds4

About 3-nitro-2-(1-propan-2-yltetrazol-5-yl)sulfanylimidazo[1,2-a]pyridine

3-nitro-2-(1-propan-2-yltetrazol-5-yl)sulfanylimidazo[1,2-a]pyridine (PubChem CID 18095953) has the molecular formula C11H11N7O2S and a molecular weight of 305.32 g/mol. Its IUPAC name is 3-nitro-2-(1-propan-2-yltetrazol-5-yl)sulfanylimidazo[1,2-a]pyridine.

Molecular Properties

Compound Name3-nitro-2-(1-propan-2-yltetrazol-5-yl)sulfanylimidazo[1,2-a]pyridine
PubChem CID18095953
Molecular FormulaC11H11N7O2S
Molecular Weight305.32 g/mol
Exact Mass305.07
IUPAC Name3-nitro-2-(1-propan-2-yltetrazol-5-yl)sulfanylimidazo[1,2-a]pyridine
SMILESCC(C)n1nnnc1Sc1nc2ccccn2c1[N+](=O)[O-]
InChIInChI=1S/C11H11N7O2S/c1-7(2)17-11(13-14-15-17)21-9-10(18(19)20)16-6-4-3-5-8(16)12-9/h3-7H,1-2H3
InChIKeyGQWDJHAYKIFYHZ-UHFFFAOYSA-N
XLogP1.96
TPSA104.04 Ų
H-Bond Donors
H-Bond Acceptors9
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500305.32
LogP ≤ 51.96
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 109

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'nitro_group', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

2-[(4,5-dicyclopropyl-1,2,4-triazol-3-yl)sulfanyl]-3-nitroimidazo[1,2-a]pyridine
CID 18127115
2-(3-nitroimidazo[1,2-a]pyridin-2-yl)sulfanyl-5-phenyl-1,3-oxazole
CID 71883490
2-[[4-(3,4-dichlorophenyl)-5-pyridin-3-yl-1,2,4-triazol-3-yl]sulfanyl]-3-nitroimidazo[1,2-a]pyridine
CID 24565826
1-[2-(1-methyltetrazol-5-yl)sulfanylimidazo[1,2-a]pyridin-3-yl]propan-2-amine
CID 63819265
2-[[5-(3-nitroimidazo[1,2-a]pyridin-2-yl)sulfanyl-1,3,4-thiadiazol-2-yl]sulfanyl]-N-propylacetamide
CID 24508626
1-[3-nitro-4-(1-propan-2-yltetrazol-5-yl)sulfanylphenyl]ethanone
CID 51245879
1-[methyl-[(3-nitroimidazo[1,2-a]pyridin-2-yl)methyl]amino]propan-2-ol
CID 62334856
4-nitro-3-(1-propan-2-yltetrazol-5-yl)sulfanylbenzonitrile
CID 133478602
2-[(3-nitroimidazo[1,2-a]pyridin-2-yl)methylsulfanyl]propanoic acid
CID 43352455
2-[[4-amino-5-(2-methylfuran-3-yl)-1,2,4-triazol-3-yl]sulfanyl]-3-nitropyrido[1,2-a]pyrimidin-4-one
CID 133374442
N-(2-methyl-1-phenylpropyl)-3-nitroimidazo[1,2-a]pyridin-2-amine
CID 18095899
5-[(1R)-1-(3-nitrophenyl)ethyl]sulfanyl-1-propan-2-yltetrazole
CID 40855787

Frequently Asked Questions

What is the IUPAC name of 3-nitro-2-(1-propan-2-yltetrazol-5-yl)sulfanylimidazo[1,2-a]pyridine?
The IUPAC name of 3-nitro-2-(1-propan-2-yltetrazol-5-yl)sulfanylimidazo[1,2-a]pyridine (CID 18095953) is 3-nitro-2-(1-propan-2-yltetrazol-5-yl)sulfanylimidazo[1,2-a]pyridine.
What is the SMILES notation for 3-nitro-2-(1-propan-2-yltetrazol-5-yl)sulfanylimidazo[1,2-a]pyridine?
The canonical SMILES for 3-nitro-2-(1-propan-2-yltetrazol-5-yl)sulfanylimidazo[1,2-a]pyridine is CC(C)n1nnnc1Sc1nc2ccccn2c1[N+](=O)[O-].
What is the InChIKey of 3-nitro-2-(1-propan-2-yltetrazol-5-yl)sulfanylimidazo[1,2-a]pyridine?
The InChIKey is GQWDJHAYKIFYHZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H11N7O2S/c1-7(2)17-11(13-14-15-17)21-9-10(18(19)20)16-6-4-3-5-8(16)12-9/h3-7H,1-2H3.
What are the key properties of 3-nitro-2-(1-propan-2-yltetrazol-5-yl)sulfanylimidazo[1,2-a]pyridine?
3-nitro-2-(1-propan-2-yltetrazol-5-yl)sulfanylimidazo[1,2-a]pyridine has a molecular weight of 305.32 g/mol, XLogP of 1.96, 4 rotatable bonds, 0 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for 3-nitro-2-(1-propan-2-yltetrazol-5-yl)sulfanylimidazo[1,2-a]pyridine is sourced from PubChem (CID 18095953), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).