ethane;1H-pyrrolo[2,3-b]pyridin-3-amine

C11H19N3 — CID 142426313

IUPACethane;1H-pyrrolo[2,3-b]pyridin-3-amine
SMILESCC.CC.Nc1c[nH]c2ncccc12
InChIInChI=1S/C7H7N3.2C2H6/c8-6-4-10-7-5(6)2-1-3-9-7;2*1-2/h1-4H,8H2,(H,9,10);2*1-2H3
InChIKeyFROUTKOWSSEUOO-UHFFFAOYSA-N
MW193.29 g/mol
LogP3.20
Rot. Bonds

About ethane;1H-pyrrolo[2,3-b]pyridin-3-amine

ethane;1H-pyrrolo[2,3-b]pyridin-3-amine (PubChem CID 142426313) has the molecular formula C11H19N3 and a molecular weight of 193.29 g/mol. Its IUPAC name is ethane;1H-pyrrolo[2,3-b]pyridin-3-amine.

Molecular Properties

Compound Nameethane;1H-pyrrolo[2,3-b]pyridin-3-amine
PubChem CID142426313
Molecular FormulaC11H19N3
Molecular Weight193.29 g/mol
Exact Mass193.16
IUPAC Nameethane;1H-pyrrolo[2,3-b]pyridin-3-amine
SMILESCC.CC.Nc1c[nH]c2ncccc12
InChIInChI=1S/C7H7N3.2C2H6/c8-6-4-10-7-5(6)2-1-3-9-7;2*1-2/h1-4H,8H2,(H,9,10);2*1-2H3
InChIKeyFROUTKOWSSEUOO-UHFFFAOYSA-N
XLogP3.20
TPSA54.70 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500193.29
LogP ≤ 53.20
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

3-fluoro-1H-pyrrolo[2,3-b]pyridine
CID 20784528
3-(trideuteriomethyl)-1H-pyrrolo[2,3-b]pyridine
CID 101366417
2-methyl-5-(1H-pyrrolo[2,3-b]pyridin-3-yl)pyridin-3-amine
CID 166338323
3-(1H-pyrrolo[2,3-b]pyridin-3-ylmethyl)-1H-pyrrolo[2,3-b]pyridine
CID 12037446
ethane;2-(1H-pyrrolo[2,3-b]pyridin-3-yl)acetonitrile
CID 91517846
3-[(Z)-but-2-enyl]-1H-pyrrolo[2,3-b]pyridine
CID 142204589
N-ethyl-1H-pyrrolo[2,3-b]pyridin-3-amine
CID 141065993
1-amino-1-(1H-pyrrolo[2,3-b]pyridin-3-yl)propan-2-ol
CID 55271278
bis(1H-pyrrolo[2,3-b]pyridin-3-yl)methanone
CID 151992527
3-(trifluoromethyl)-1H-pyrrolo[2,3-b]pyridine
CID 11586410
(2S)-2-amino-3-(1H-pyrrolo[2,3-b]pyridin-3-yl)propan-1-ol
CID 135394624
2-amino-3-(1H-pyrrolo[2,3-b]pyridin-3-yl)propan-1-ol
CID 66932650

Frequently Asked Questions

What is the IUPAC name of ethane;1H-pyrrolo[2,3-b]pyridin-3-amine?
The IUPAC name of ethane;1H-pyrrolo[2,3-b]pyridin-3-amine (CID 142426313) is ethane;1H-pyrrolo[2,3-b]pyridin-3-amine.
What is the SMILES notation for ethane;1H-pyrrolo[2,3-b]pyridin-3-amine?
The canonical SMILES for ethane;1H-pyrrolo[2,3-b]pyridin-3-amine is CC.CC.Nc1c[nH]c2ncccc12.
What is the InChIKey of ethane;1H-pyrrolo[2,3-b]pyridin-3-amine?
The InChIKey is FROUTKOWSSEUOO-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H7N3.2C2H6/c8-6-4-10-7-5(6)2-1-3-9-7;2*1-2/h1-4H,8H2,(H,9,10);2*1-2H3.
What are the key properties of ethane;1H-pyrrolo[2,3-b]pyridin-3-amine?
ethane;1H-pyrrolo[2,3-b]pyridin-3-amine has a molecular weight of 193.29 g/mol, XLogP of 3.20, 0 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for ethane;1H-pyrrolo[2,3-b]pyridin-3-amine is sourced from PubChem (CID 142426313), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).