3a,7a-dihydro-1H-imidazo[4,5-c]pyridin-4-amine

C6H8N4 — CID 45120646

IUPAC3a,7a-dihydro-1H-imidazo[4,5-c]pyridin-4-amine
SMILESNC1=NC=CC2NC=NC12
InChIInChI=1S/C6H8N4/c7-6-5-4(1-2-8-6)9-3-10-5/h1-5H,(H2,7,8)(H,9,10)
InChIKeyKABBHOGXMMTQSA-UHFFFAOYSA-N
MW136.16 g/mol
LogP-0.76
Rot. Bonds

About 3a,7a-dihydro-1H-imidazo[4,5-c]pyridin-4-amine

3a,7a-dihydro-1H-imidazo[4,5-c]pyridin-4-amine (PubChem CID 45120646) has the molecular formula C6H8N4 and a molecular weight of 136.16 g/mol. Its IUPAC name is 3a,7a-dihydro-1H-imidazo[4,5-c]pyridin-4-amine.

Molecular Properties

Compound Name3a,7a-dihydro-1H-imidazo[4,5-c]pyridin-4-amine
PubChem CID45120646
Molecular FormulaC6H8N4
Molecular Weight136.16 g/mol
Exact Mass136.07
IUPAC Name3a,7a-dihydro-1H-imidazo[4,5-c]pyridin-4-amine
SMILESNC1=NC=CC2NC=NC12
InChIInChI=1S/C6H8N4/c7-6-5-4(1-2-8-6)9-3-10-5/h1-5H,(H2,7,8)(H,9,10)
InChIKeyKABBHOGXMMTQSA-UHFFFAOYSA-N
XLogP-0.76
TPSA62.77 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500136.16
LogP ≤ 5-0.76
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 3a,7a-dihydro-1H-imidazo[4,5-c]pyridin-4-amine?
The IUPAC name of 3a,7a-dihydro-1H-imidazo[4,5-c]pyridin-4-amine (CID 45120646) is 3a,7a-dihydro-1H-imidazo[4,5-c]pyridin-4-amine.
What is the SMILES notation for 3a,7a-dihydro-1H-imidazo[4,5-c]pyridin-4-amine?
The canonical SMILES for 3a,7a-dihydro-1H-imidazo[4,5-c]pyridin-4-amine is NC1=NC=CC2NC=NC12.
What is the InChIKey of 3a,7a-dihydro-1H-imidazo[4,5-c]pyridin-4-amine?
The InChIKey is KABBHOGXMMTQSA-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H8N4/c7-6-5-4(1-2-8-6)9-3-10-5/h1-5H,(H2,7,8)(H,9,10).
What are the key properties of 3a,7a-dihydro-1H-imidazo[4,5-c]pyridin-4-amine?
3a,7a-dihydro-1H-imidazo[4,5-c]pyridin-4-amine has a molecular weight of 136.16 g/mol, XLogP of -0.76, 0 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3a,7a-dihydro-1H-imidazo[4,5-c]pyridin-4-amine is sourced from PubChem (CID 45120646), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).