1-propan-2-yl-3a,7a-dihydroimidazo[4,5-c]pyridin-4-amine

C9H14N4 — CID 156571780

IUPAC1-propan-2-yl-3a,7a-dihydroimidazo[4,5-c]pyridin-4-amine
SMILESCC(C)N1C=NC2C(N)=NC=CC21
InChIInChI=1S/C9H14N4/c1-6(2)13-5-12-8-7(13)3-4-11-9(8)10/h3-8H,1-2H3,(H2,10,11)
InChIKeyWPLNVFYQAPLNSM-UHFFFAOYSA-N
MW178.24 g/mol
LogP0.36
Rot. Bonds1

About 1-propan-2-yl-3a,7a-dihydroimidazo[4,5-c]pyridin-4-amine

1-propan-2-yl-3a,7a-dihydroimidazo[4,5-c]pyridin-4-amine (PubChem CID 156571780) has the molecular formula C9H14N4 and a molecular weight of 178.24 g/mol. Its IUPAC name is 1-propan-2-yl-3a,7a-dihydroimidazo[4,5-c]pyridin-4-amine.

Molecular Properties

Compound Name1-propan-2-yl-3a,7a-dihydroimidazo[4,5-c]pyridin-4-amine
PubChem CID156571780
Molecular FormulaC9H14N4
Molecular Weight178.24 g/mol
Exact Mass178.12
IUPAC Name1-propan-2-yl-3a,7a-dihydroimidazo[4,5-c]pyridin-4-amine
SMILESCC(C)N1C=NC2C(N)=NC=CC21
InChIInChI=1S/C9H14N4/c1-6(2)13-5-12-8-7(13)3-4-11-9(8)10/h3-8H,1-2H3,(H2,10,11)
InChIKeyWPLNVFYQAPLNSM-UHFFFAOYSA-N
XLogP0.36
TPSA53.98 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500178.24
LogP ≤ 50.36
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-propan-2-yl-3a,7a-dihydroimidazo[4,5-c]pyridin-4-amine?
The IUPAC name of 1-propan-2-yl-3a,7a-dihydroimidazo[4,5-c]pyridin-4-amine (CID 156571780) is 1-propan-2-yl-3a,7a-dihydroimidazo[4,5-c]pyridin-4-amine.
What is the SMILES notation for 1-propan-2-yl-3a,7a-dihydroimidazo[4,5-c]pyridin-4-amine?
The canonical SMILES for 1-propan-2-yl-3a,7a-dihydroimidazo[4,5-c]pyridin-4-amine is CC(C)N1C=NC2C(N)=NC=CC21.
What is the InChIKey of 1-propan-2-yl-3a,7a-dihydroimidazo[4,5-c]pyridin-4-amine?
The InChIKey is WPLNVFYQAPLNSM-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H14N4/c1-6(2)13-5-12-8-7(13)3-4-11-9(8)10/h3-8H,1-2H3,(H2,10,11).
What are the key properties of 1-propan-2-yl-3a,7a-dihydroimidazo[4,5-c]pyridin-4-amine?
1-propan-2-yl-3a,7a-dihydroimidazo[4,5-c]pyridin-4-amine has a molecular weight of 178.24 g/mol, XLogP of 0.36, 1 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-propan-2-yl-3a,7a-dihydroimidazo[4,5-c]pyridin-4-amine is sourced from PubChem (CID 156571780), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).