1-[2-(1-methyltetrazol-5-yl)sulfanylimidazo[1,2-a]pyridin-3-yl]propan-2-amine

C12H15N7S — CID 63819265

IUPAC1-[2-(1-methyltetrazol-5-yl)sulfanylimidazo[1,2-a]pyridin-3-yl]propan-2-amine
SMILESCC(N)Cc1c(Sc2nnnn2C)nc2ccccn12
InChIInChI=1S/C12H15N7S/c1-8(13)7-9-11(20-12-15-16-17-18(12)2)14-10-5-3-4-6-19(9)10/h3-6,8H,7,13H2,1-2H3
InChIKeyPCUHLXOHFRSNJC-UHFFFAOYSA-N
MW289.37 g/mol
LogP0.90
Rot. Bonds4

About 1-[2-(1-methyltetrazol-5-yl)sulfanylimidazo[1,2-a]pyridin-3-yl]propan-2-amine

1-[2-(1-methyltetrazol-5-yl)sulfanylimidazo[1,2-a]pyridin-3-yl]propan-2-amine (PubChem CID 63819265) has the molecular formula C12H15N7S and a molecular weight of 289.37 g/mol. Its IUPAC name is 1-[2-(1-methyltetrazol-5-yl)sulfanylimidazo[1,2-a]pyridin-3-yl]propan-2-amine.

Molecular Properties

Compound Name1-[2-(1-methyltetrazol-5-yl)sulfanylimidazo[1,2-a]pyridin-3-yl]propan-2-amine
PubChem CID63819265
Molecular FormulaC12H15N7S
Molecular Weight289.37 g/mol
Exact Mass289.11
IUPAC Name1-[2-(1-methyltetrazol-5-yl)sulfanylimidazo[1,2-a]pyridin-3-yl]propan-2-amine
SMILESCC(N)Cc1c(Sc2nnnn2C)nc2ccccn12
InChIInChI=1S/C12H15N7S/c1-8(13)7-9-11(20-12-15-16-17-18(12)2)14-10-5-3-4-6-19(9)10/h3-6,8H,7,13H2,1-2H3
InChIKeyPCUHLXOHFRSNJC-UHFFFAOYSA-N
XLogP0.90
TPSA86.92 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500289.37
LogP ≤ 50.90
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

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Related Compounds

1-[6-(1-methyltetrazol-5-yl)sulfanylimidazo[2,1-b][1,3]thiazol-5-yl]propan-2-amine
CID 63820444
1-[2-(2-methylphenyl)sulfanylimidazo[1,2-a]pyridin-3-yl]propan-2-amine
CID 63818822
1-[2-(3-methylphenyl)sulfanylimidazo[1,2-a]pyridin-3-yl]propan-2-amine
CID 63818522
1-(2-butylsulfanylimidazo[1,2-a]pyridin-3-yl)propan-2-amine
CID 63819837
1-[2-(1-cyclopropyltetrazol-5-yl)sulfanylimidazo[1,2-a]pyridin-3-yl]-N-methylmethanamine
CID 63804595
3-nitro-2-(1-propan-2-yltetrazol-5-yl)sulfanylimidazo[1,2-a]pyridine
CID 18095953
1-(2-tert-butylsulfanylimidazo[1,2-a]pyridin-3-yl)butan-2-amine
CID 55237980
1-[2-(4-bromopyrazol-1-yl)imidazo[1,2-a]pyridin-3-yl]propan-2-amine
CID 63815908
3-[3-(hydroxymethyl)imidazo[1,2-a]pyridin-2-yl]sulfanyl-4-methyl-1H-1,2,4-triazol-5-one
CID 63835596
[2-(2,5-dimethylpyrazol-3-yl)sulfanylimidazo[1,2-a]pyridin-3-yl]methanamine
CID 63809693
1-[3-(2-aminopropyl)imidazo[1,2-a]pyridin-2-yl]pyrazole-4-carboxamide
CID 64782172
2-[2-(1-methylpyrazol-4-yl)sulfanylimidazo[1,2-a]pyridin-3-yl]ethanamine
CID 63818050

Frequently Asked Questions

What is the IUPAC name of 1-[2-(1-methyltetrazol-5-yl)sulfanylimidazo[1,2-a]pyridin-3-yl]propan-2-amine?
The IUPAC name of 1-[2-(1-methyltetrazol-5-yl)sulfanylimidazo[1,2-a]pyridin-3-yl]propan-2-amine (CID 63819265) is 1-[2-(1-methyltetrazol-5-yl)sulfanylimidazo[1,2-a]pyridin-3-yl]propan-2-amine.
What is the SMILES notation for 1-[2-(1-methyltetrazol-5-yl)sulfanylimidazo[1,2-a]pyridin-3-yl]propan-2-amine?
The canonical SMILES for 1-[2-(1-methyltetrazol-5-yl)sulfanylimidazo[1,2-a]pyridin-3-yl]propan-2-amine is CC(N)Cc1c(Sc2nnnn2C)nc2ccccn12.
What is the InChIKey of 1-[2-(1-methyltetrazol-5-yl)sulfanylimidazo[1,2-a]pyridin-3-yl]propan-2-amine?
The InChIKey is PCUHLXOHFRSNJC-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H15N7S/c1-8(13)7-9-11(20-12-15-16-17-18(12)2)14-10-5-3-4-6-19(9)10/h3-6,8H,7,13H2,1-2H3.
What are the key properties of 1-[2-(1-methyltetrazol-5-yl)sulfanylimidazo[1,2-a]pyridin-3-yl]propan-2-amine?
1-[2-(1-methyltetrazol-5-yl)sulfanylimidazo[1,2-a]pyridin-3-yl]propan-2-amine has a molecular weight of 289.37 g/mol, XLogP of 0.90, 4 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-(1-methyltetrazol-5-yl)sulfanylimidazo[1,2-a]pyridin-3-yl]propan-2-amine is sourced from PubChem (CID 63819265), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).