6-propan-2-yl-5,7-dihydropyrrolo[3,4-b]pyridin-4-amine

C10H15N3 — CID 137417876

IUPAC6-propan-2-yl-5,7-dihydropyrrolo[3,4-b]pyridin-4-amine
SMILESCC(C)N1Cc2nccc(N)c2C1
InChIInChI=1S/C10H15N3/c1-7(2)13-5-8-9(11)3-4-12-10(8)6-13/h3-4,7H,5-6H2,1-2H3,(H2,11,12)
InChIKeyPNIURNASLLJUNK-UHFFFAOYSA-N
MW177.25 g/mol
LogP1.39
Rot. Bonds1

About 6-propan-2-yl-5,7-dihydropyrrolo[3,4-b]pyridin-4-amine

6-propan-2-yl-5,7-dihydropyrrolo[3,4-b]pyridin-4-amine (PubChem CID 137417876) has the molecular formula C10H15N3 and a molecular weight of 177.25 g/mol. Its IUPAC name is 6-propan-2-yl-5,7-dihydropyrrolo[3,4-b]pyridin-4-amine.

Molecular Properties

Compound Name6-propan-2-yl-5,7-dihydropyrrolo[3,4-b]pyridin-4-amine
PubChem CID137417876
Molecular FormulaC10H15N3
Molecular Weight177.25 g/mol
Exact Mass177.13
IUPAC Name6-propan-2-yl-5,7-dihydropyrrolo[3,4-b]pyridin-4-amine
SMILESCC(C)N1Cc2nccc(N)c2C1
InChIInChI=1S/C10H15N3/c1-7(2)13-5-8-9(11)3-4-12-10(8)6-13/h3-4,7H,5-6H2,1-2H3,(H2,11,12)
InChIKeyPNIURNASLLJUNK-UHFFFAOYSA-N
XLogP1.39
TPSA42.15 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500177.25
LogP ≤ 51.39
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

Nicotine
CID 89594
Nornicotine
CID 91462
3-(1-Methylpyrrolidin-2-yl)pyridine
CID 942
3-(Pyrrolidin-2-yl)pyridine
CID 412
(R)-Nicotine
CID 157672
Nicotine hydrochloride
CID 5284430
Nicotyrine
CID 10249
(R)-Nornicotine
CID 93047
5-Azaindole
CID 9220
3-Methyl-4-pyridinamine
CID 74811
(S)-nicotinium(1+)
CID 6919000
2-Phenylpyridin-4-amine
CID 2762833

Frequently Asked Questions

What is the IUPAC name of 6-propan-2-yl-5,7-dihydropyrrolo[3,4-b]pyridin-4-amine?
The IUPAC name of 6-propan-2-yl-5,7-dihydropyrrolo[3,4-b]pyridin-4-amine (CID 137417876) is 6-propan-2-yl-5,7-dihydropyrrolo[3,4-b]pyridin-4-amine.
What is the SMILES notation for 6-propan-2-yl-5,7-dihydropyrrolo[3,4-b]pyridin-4-amine?
The canonical SMILES for 6-propan-2-yl-5,7-dihydropyrrolo[3,4-b]pyridin-4-amine is CC(C)N1Cc2nccc(N)c2C1.
What is the InChIKey of 6-propan-2-yl-5,7-dihydropyrrolo[3,4-b]pyridin-4-amine?
The InChIKey is PNIURNASLLJUNK-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H15N3/c1-7(2)13-5-8-9(11)3-4-12-10(8)6-13/h3-4,7H,5-6H2,1-2H3,(H2,11,12).
What are the key properties of 6-propan-2-yl-5,7-dihydropyrrolo[3,4-b]pyridin-4-amine?
6-propan-2-yl-5,7-dihydropyrrolo[3,4-b]pyridin-4-amine has a molecular weight of 177.25 g/mol, XLogP of 1.39, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-propan-2-yl-5,7-dihydropyrrolo[3,4-b]pyridin-4-amine is sourced from PubChem (CID 137417876), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).