7-butan-2-yl-1H-imidazo[4,5-b]pyridine;molecular hydrogen

C10H15N3 — CID 144881517

IUPAC7-butan-2-yl-1H-imidazo[4,5-b]pyridine;molecular hydrogen
SMILESCCC(C)c1ccnc2nc[nH]c12.[H][H]
InChIInChI=1S/C10H13N3.H2/c1-3-7(2)8-4-5-11-10-9(8)12-6-13-10;/h4-7H,3H2,1-2H3,(H,11,12,13);1H
InChIKeyIBYZTDHMQYWFQG-UHFFFAOYSA-N
MW177.25 g/mol
LogP2.72
Rot. Bonds2

About 7-butan-2-yl-1H-imidazo[4,5-b]pyridine;molecular hydrogen

7-butan-2-yl-1H-imidazo[4,5-b]pyridine;molecular hydrogen (PubChem CID 144881517) has the molecular formula C10H15N3 and a molecular weight of 177.25 g/mol. Its IUPAC name is 7-butan-2-yl-1H-imidazo[4,5-b]pyridine;molecular hydrogen.

Molecular Properties

Compound Name7-butan-2-yl-1H-imidazo[4,5-b]pyridine;molecular hydrogen
PubChem CID144881517
Molecular FormulaC10H15N3
Molecular Weight177.25 g/mol
Exact Mass177.13
IUPAC Name7-butan-2-yl-1H-imidazo[4,5-b]pyridine;molecular hydrogen
SMILESCCC(C)c1ccnc2nc[nH]c12.[H][H]
InChIInChI=1S/C10H13N3.H2/c1-3-7(2)8-4-5-11-10-9(8)12-6-13-10;/h4-7H,3H2,1-2H3,(H,11,12,13);1H
InChIKeyIBYZTDHMQYWFQG-UHFFFAOYSA-N
XLogP2.72
TPSA41.57 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500177.25
LogP ≤ 52.72
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

molecular hydrogen;6-propan-2-yl-7H-purine
CID 171499387
7-methyl-1H-imidazo[4,5-b]pyridine
CID 3966621
6-butan-2-yl-2-propan-2-yl-7H-purine
CID 142401890
4-butan-2-ylpyridine-2,3-diamine
CID 175182735
4,7-di(butan-2-yl)-1,10-phenanthroline;ruthenium
CID 58161913
7-fluoro-1H-imidazo[4,5-b]pyridine
CID 119084499
ethane;6-ethyl-7H-purine;molecular hydrogen
CID 143569207
butane;6-methyl-7H-purine;molecular hydrogen
CID 176672548
7-butan-2-yl-2,3-dihydro-[1,3]oxazolo[4,5-b]pyridine
CID 170960607
6-[(2S)-butan-2-yl]oxy-7H-purine
CID 11819897
2-(1H-imidazo[4,5-b]pyridin-7-yl)ethanamine
CID 84651366
[3-(difluoromethyl)anilino]-(1H-imidazo[4,5-b]pyridin-7-yl)methanol
CID 134444003

Frequently Asked Questions

What is the IUPAC name of 7-butan-2-yl-1H-imidazo[4,5-b]pyridine;molecular hydrogen?
The IUPAC name of 7-butan-2-yl-1H-imidazo[4,5-b]pyridine;molecular hydrogen (CID 144881517) is 7-butan-2-yl-1H-imidazo[4,5-b]pyridine;molecular hydrogen.
What is the SMILES notation for 7-butan-2-yl-1H-imidazo[4,5-b]pyridine;molecular hydrogen?
The canonical SMILES for 7-butan-2-yl-1H-imidazo[4,5-b]pyridine;molecular hydrogen is CCC(C)c1ccnc2nc[nH]c12.[H][H].
What is the InChIKey of 7-butan-2-yl-1H-imidazo[4,5-b]pyridine;molecular hydrogen?
The InChIKey is IBYZTDHMQYWFQG-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H13N3.H2/c1-3-7(2)8-4-5-11-10-9(8)12-6-13-10;/h4-7H,3H2,1-2H3,(H,11,12,13);1H.
What are the key properties of 7-butan-2-yl-1H-imidazo[4,5-b]pyridine;molecular hydrogen?
7-butan-2-yl-1H-imidazo[4,5-b]pyridine;molecular hydrogen has a molecular weight of 177.25 g/mol, XLogP of 2.72, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 7-butan-2-yl-1H-imidazo[4,5-b]pyridine;molecular hydrogen is sourced from PubChem (CID 144881517), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).