6-N-(3-pyrazol-1-ylpropyl)pyridine-2,3,6-triamine

C11H16N6 — CID 113412388

IUPAC6-N-(3-pyrazol-1-ylpropyl)pyridine-2,3,6-triamine
SMILESNc1ccc(NCCCn2cccn2)nc1N
InChIInChI=1S/C11H16N6/c12-9-3-4-10(16-11(9)13)14-5-1-7-17-8-2-6-15-17/h2-4,6,8H,1,5,7,12H2,(H3,13,14,16)
InChIKeyOOVITPQKDSPKIH-UHFFFAOYSA-N
MW232.29 g/mol
LogP0.94
Rot. Bonds5

About 6-N-(3-pyrazol-1-ylpropyl)pyridine-2,3,6-triamine

6-N-(3-pyrazol-1-ylpropyl)pyridine-2,3,6-triamine (PubChem CID 113412388) has the molecular formula C11H16N6 and a molecular weight of 232.29 g/mol. Its IUPAC name is 6-N-(3-pyrazol-1-ylpropyl)pyridine-2,3,6-triamine.

Molecular Properties

Compound Name6-N-(3-pyrazol-1-ylpropyl)pyridine-2,3,6-triamine
PubChem CID113412388
Molecular FormulaC11H16N6
Molecular Weight232.29 g/mol
Exact Mass232.14
IUPAC Name6-N-(3-pyrazol-1-ylpropyl)pyridine-2,3,6-triamine
SMILESNc1ccc(NCCCn2cccn2)nc1N
InChIInChI=1S/C11H16N6/c12-9-3-4-10(16-11(9)13)14-5-1-7-17-8-2-6-15-17/h2-4,6,8H,1,5,7,12H2,(H3,13,14,16)
InChIKeyOOVITPQKDSPKIH-UHFFFAOYSA-N
XLogP0.94
TPSA94.78 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500232.29
LogP ≤ 50.94
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Related Compounds

4-N-(3-pyrazol-1-ylpropyl)benzene-1,4-diamine
CID 23104821
6-[(2-methylpropan-2-yl)oxy]-2-N-(2-pyrazol-1-ylethyl)pyridine-2,5-diamine
CID 61460018
4-iodo-1-N-(3-pyrazol-1-ylpropyl)benzene-1,2-diamine
CID 113412372
4-amino-3-(3-pyrazol-1-ylpropylamino)benzonitrile
CID 104712294
N-(3-pyrazol-1-ylpropyl)pyridin-4-amine
CID 115669379
6-N-[3-(3,5-dimethylpyrazol-1-yl)propyl]pyridine-2,3,6-triamine
CID 114536169
N-(3-pyrazol-1-ylpropyl)pyrazin-2-amine
CID 115580003
6-N-ethylpyridine-2,3,6-triamine
CID 79822372
2-N-ethyl-6-N-(2-pyrazol-1-ylethyl)pyridine-2,6-diamine
CID 80808931
N-(3-pyrazol-1-ylpropyl)-1,3-thiazol-2-amine
CID 115579999
4-ethyl-N-(3-pyrazol-1-ylpropyl)-1,3-thiazol-2-amine
CID 115681727
6-N-[2-(diethylamino)ethyl]pyridine-2,3,6-triamine
CID 79822537

Frequently Asked Questions

What is the IUPAC name of 6-N-(3-pyrazol-1-ylpropyl)pyridine-2,3,6-triamine?
The IUPAC name of 6-N-(3-pyrazol-1-ylpropyl)pyridine-2,3,6-triamine (CID 113412388) is 6-N-(3-pyrazol-1-ylpropyl)pyridine-2,3,6-triamine.
What is the SMILES notation for 6-N-(3-pyrazol-1-ylpropyl)pyridine-2,3,6-triamine?
The canonical SMILES for 6-N-(3-pyrazol-1-ylpropyl)pyridine-2,3,6-triamine is Nc1ccc(NCCCn2cccn2)nc1N.
What is the InChIKey of 6-N-(3-pyrazol-1-ylpropyl)pyridine-2,3,6-triamine?
The InChIKey is OOVITPQKDSPKIH-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H16N6/c12-9-3-4-10(16-11(9)13)14-5-1-7-17-8-2-6-15-17/h2-4,6,8H,1,5,7,12H2,(H3,13,14,16).
What are the key properties of 6-N-(3-pyrazol-1-ylpropyl)pyridine-2,3,6-triamine?
6-N-(3-pyrazol-1-ylpropyl)pyridine-2,3,6-triamine has a molecular weight of 232.29 g/mol, XLogP of 0.94, 5 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 6-N-(3-pyrazol-1-ylpropyl)pyridine-2,3,6-triamine is sourced from PubChem (CID 113412388), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).