ethane;molecular hydrogen;6-propan-2-yl-3H-imidazo[4,5-c]pyridine

C11H19N3 — CID 171660115

IUPACethane;molecular hydrogen;6-propan-2-yl-3H-imidazo[4,5-c]pyridine
SMILESCC.CC(C)c1cc2nc[nH]c2cn1.[H][H]
InChIInChI=1S/C9H11N3.C2H6.H2/c1-6(2)7-3-8-9(4-10-7)12-5-11-8;1-2;/h3-6H,1-2H3,(H,11,12);1-2H3;1H
InChIKeyOHNHQPUVDXGKSP-UHFFFAOYSA-N
MW193.29 g/mol
LogP3.35
Rot. Bonds1

About ethane;molecular hydrogen;6-propan-2-yl-3H-imidazo[4,5-c]pyridine

ethane;molecular hydrogen;6-propan-2-yl-3H-imidazo[4,5-c]pyridine (PubChem CID 171660115) has the molecular formula C11H19N3 and a molecular weight of 193.29 g/mol. Its IUPAC name is ethane;molecular hydrogen;6-propan-2-yl-3H-imidazo[4,5-c]pyridine.

Molecular Properties

Compound Nameethane;molecular hydrogen;6-propan-2-yl-3H-imidazo[4,5-c]pyridine
PubChem CID171660115
Molecular FormulaC11H19N3
Molecular Weight193.29 g/mol
Exact Mass193.16
IUPAC Nameethane;molecular hydrogen;6-propan-2-yl-3H-imidazo[4,5-c]pyridine
SMILESCC.CC(C)c1cc2nc[nH]c2cn1.[H][H]
InChIInChI=1S/C9H11N3.C2H6.H2/c1-6(2)7-3-8-9(4-10-7)12-5-11-8;1-2;/h3-6H,1-2H3,(H,11,12);1-2H3;1H
InChIKeyOHNHQPUVDXGKSP-UHFFFAOYSA-N
XLogP3.35
TPSA41.57 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500193.29
LogP ≤ 53.35
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of ethane;molecular hydrogen;6-propan-2-yl-3H-imidazo[4,5-c]pyridine?
The IUPAC name of ethane;molecular hydrogen;6-propan-2-yl-3H-imidazo[4,5-c]pyridine (CID 171660115) is ethane;molecular hydrogen;6-propan-2-yl-3H-imidazo[4,5-c]pyridine.
What is the SMILES notation for ethane;molecular hydrogen;6-propan-2-yl-3H-imidazo[4,5-c]pyridine?
The canonical SMILES for ethane;molecular hydrogen;6-propan-2-yl-3H-imidazo[4,5-c]pyridine is CC.CC(C)c1cc2nc[nH]c2cn1.[H][H].
What is the InChIKey of ethane;molecular hydrogen;6-propan-2-yl-3H-imidazo[4,5-c]pyridine?
The InChIKey is OHNHQPUVDXGKSP-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H11N3.C2H6.H2/c1-6(2)7-3-8-9(4-10-7)12-5-11-8;1-2;/h3-6H,1-2H3,(H,11,12);1-2H3;1H.
What are the key properties of ethane;molecular hydrogen;6-propan-2-yl-3H-imidazo[4,5-c]pyridine?
ethane;molecular hydrogen;6-propan-2-yl-3H-imidazo[4,5-c]pyridine has a molecular weight of 193.29 g/mol, XLogP of 3.35, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for ethane;molecular hydrogen;6-propan-2-yl-3H-imidazo[4,5-c]pyridine is sourced from PubChem (CID 171660115), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).