2-N-ethyl-6-N-(2-pyrazol-1-ylethyl)pyridine-2,6-diamine

C12H17N5 — CID 80808931

IUPAC2-N-ethyl-6-N-(2-pyrazol-1-ylethyl)pyridine-2,6-diamine
SMILESCCNc1cccc(NCCn2cccn2)n1
InChIInChI=1S/C12H17N5/c1-2-13-11-5-3-6-12(16-11)14-8-10-17-9-4-7-15-17/h3-7,9H,2,8,10H2,1H3,(H2,13,14,16)
InChIKeyVGDGWXLRURYJRS-UHFFFAOYSA-N
MW231.30 g/mol
LogP1.82
Rot. Bonds6

About 2-N-ethyl-6-N-(2-pyrazol-1-ylethyl)pyridine-2,6-diamine

2-N-ethyl-6-N-(2-pyrazol-1-ylethyl)pyridine-2,6-diamine (PubChem CID 80808931) has the molecular formula C12H17N5 and a molecular weight of 231.30 g/mol. Its IUPAC name is 2-N-ethyl-6-N-(2-pyrazol-1-ylethyl)pyridine-2,6-diamine.

Molecular Properties

Compound Name2-N-ethyl-6-N-(2-pyrazol-1-ylethyl)pyridine-2,6-diamine
PubChem CID80808931
Molecular FormulaC12H17N5
Molecular Weight231.30 g/mol
Exact Mass231.15
IUPAC Name2-N-ethyl-6-N-(2-pyrazol-1-ylethyl)pyridine-2,6-diamine
SMILESCCNc1cccc(NCCn2cccn2)n1
InChIInChI=1S/C12H17N5/c1-2-13-11-5-3-6-12(16-11)14-8-10-17-9-4-7-15-17/h3-7,9H,2,8,10H2,1H3,(H2,13,14,16)
InChIKeyVGDGWXLRURYJRS-UHFFFAOYSA-N
XLogP1.82
TPSA54.77 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500231.30
LogP ≤ 51.82
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

2-N-ethyl-4-N-(2-pyrazol-1-ylethyl)pyrimidine-2,4-diamine
CID 80809040
2-N-ethyl-6-N-(2-fluoroethyl)pyridine-2,6-diamine
CID 130505047
2,3-dimethyl-N-(2-pyrazol-1-ylethyl)aniline
CID 61491576
N-propyl-6-(pyrazol-1-ylmethyl)pyridin-2-amine
CID 79232077
6-[(2-methylpropan-2-yl)oxy]-2-N-(2-pyrazol-1-ylethyl)pyridine-2,5-diamine
CID 61460018
N-(2-pyrazol-1-ylethyl)pyridin-4-amine
CID 61462969
1-(4-tert-butylphenyl)-N-(2-pyrazol-1-ylethyl)ethanamine
CID 61459928
6-methyl-4-N-(2-pyrazol-1-ylethyl)pyrimidine-2,4-diamine
CID 112732592
2-methylsulfanyl-4-N-(2-pyrazol-1-ylethyl)pyrimidine-4,6-diamine
CID 80808551
6-N-methyl-2-methylsulfanyl-4-N-(2-pyrazol-1-ylethyl)pyrimidine-4,6-diamine
CID 80809600
2-N-(2-pyrazol-1-ylethyl)pyrimidine-2,4-diamine
CID 115978219
6-N-ethyl-5-propyl-4-N-(2-pyrazol-1-ylethyl)pyrimidine-4,6-diamine
CID 80809334

Frequently Asked Questions

What is the IUPAC name of 2-N-ethyl-6-N-(2-pyrazol-1-ylethyl)pyridine-2,6-diamine?
The IUPAC name of 2-N-ethyl-6-N-(2-pyrazol-1-ylethyl)pyridine-2,6-diamine (CID 80808931) is 2-N-ethyl-6-N-(2-pyrazol-1-ylethyl)pyridine-2,6-diamine.
What is the SMILES notation for 2-N-ethyl-6-N-(2-pyrazol-1-ylethyl)pyridine-2,6-diamine?
The canonical SMILES for 2-N-ethyl-6-N-(2-pyrazol-1-ylethyl)pyridine-2,6-diamine is CCNc1cccc(NCCn2cccn2)n1.
What is the InChIKey of 2-N-ethyl-6-N-(2-pyrazol-1-ylethyl)pyridine-2,6-diamine?
The InChIKey is VGDGWXLRURYJRS-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H17N5/c1-2-13-11-5-3-6-12(16-11)14-8-10-17-9-4-7-15-17/h3-7,9H,2,8,10H2,1H3,(H2,13,14,16).
What are the key properties of 2-N-ethyl-6-N-(2-pyrazol-1-ylethyl)pyridine-2,6-diamine?
2-N-ethyl-6-N-(2-pyrazol-1-ylethyl)pyridine-2,6-diamine has a molecular weight of 231.30 g/mol, XLogP of 1.82, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-N-ethyl-6-N-(2-pyrazol-1-ylethyl)pyridine-2,6-diamine is sourced from PubChem (CID 80808931), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).