1-(3-aminopropyl)-4,5,6,7-tetrahydro-3H-imidazo[4,5-c]pyridine-2-thione

C9H16N4S — CID 82394338

IUPAC1-(3-aminopropyl)-4,5,6,7-tetrahydro-3H-imidazo[4,5-c]pyridine-2-thione
SMILESNCCCn1c2c([nH]c1=S)CNCC2
InChIInChI=1S/C9H16N4S/c10-3-1-5-13-8-2-4-11-6-7(8)12-9(13)14/h11H,1-6,10H2,(H,12,14)
InChIKeySLTQHNORGRWCHQ-UHFFFAOYSA-N
MW212.32 g/mol
LogP0.54
Rot. Bonds3

About 1-(3-aminopropyl)-4,5,6,7-tetrahydro-3H-imidazo[4,5-c]pyridine-2-thione

1-(3-aminopropyl)-4,5,6,7-tetrahydro-3H-imidazo[4,5-c]pyridine-2-thione (PubChem CID 82394338) has the molecular formula C9H16N4S and a molecular weight of 212.32 g/mol. Its IUPAC name is 1-(3-aminopropyl)-4,5,6,7-tetrahydro-3H-imidazo[4,5-c]pyridine-2-thione.

Molecular Properties

Compound Name1-(3-aminopropyl)-4,5,6,7-tetrahydro-3H-imidazo[4,5-c]pyridine-2-thione
PubChem CID82394338
Molecular FormulaC9H16N4S
Molecular Weight212.32 g/mol
Exact Mass212.11
IUPAC Name1-(3-aminopropyl)-4,5,6,7-tetrahydro-3H-imidazo[4,5-c]pyridine-2-thione
SMILESNCCCn1c2c([nH]c1=S)CNCC2
InChIInChI=1S/C9H16N4S/c10-3-1-5-13-8-2-4-11-6-7(8)12-9(13)14/h11H,1-6,10H2,(H,12,14)
InChIKeySLTQHNORGRWCHQ-UHFFFAOYSA-N
XLogP0.54
TPSA58.77 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500212.32
LogP ≤ 50.54
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Thiocarbonyl_group', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 1-(3-aminopropyl)-4,5,6,7-tetrahydro-3H-imidazo[4,5-c]pyridine-2-thione?
The IUPAC name of 1-(3-aminopropyl)-4,5,6,7-tetrahydro-3H-imidazo[4,5-c]pyridine-2-thione (CID 82394338) is 1-(3-aminopropyl)-4,5,6,7-tetrahydro-3H-imidazo[4,5-c]pyridine-2-thione.
What is the SMILES notation for 1-(3-aminopropyl)-4,5,6,7-tetrahydro-3H-imidazo[4,5-c]pyridine-2-thione?
The canonical SMILES for 1-(3-aminopropyl)-4,5,6,7-tetrahydro-3H-imidazo[4,5-c]pyridine-2-thione is NCCCn1c2c([nH]c1=S)CNCC2.
What is the InChIKey of 1-(3-aminopropyl)-4,5,6,7-tetrahydro-3H-imidazo[4,5-c]pyridine-2-thione?
The InChIKey is SLTQHNORGRWCHQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H16N4S/c10-3-1-5-13-8-2-4-11-6-7(8)12-9(13)14/h11H,1-6,10H2,(H,12,14).
What are the key properties of 1-(3-aminopropyl)-4,5,6,7-tetrahydro-3H-imidazo[4,5-c]pyridine-2-thione?
1-(3-aminopropyl)-4,5,6,7-tetrahydro-3H-imidazo[4,5-c]pyridine-2-thione has a molecular weight of 212.32 g/mol, XLogP of 0.54, 3 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-aminopropyl)-4,5,6,7-tetrahydro-3H-imidazo[4,5-c]pyridine-2-thione is sourced from PubChem (CID 82394338), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).