3,5-dichloro-6-N-(2-pyrazol-1-ylethyl)pyridine-2,6-diamine

C10H11Cl2N5 — CID 102756813

IUPAC3,5-dichloro-6-N-(2-pyrazol-1-ylethyl)pyridine-2,6-diamine
SMILESNc1nc(NCCn2cccn2)c(Cl)cc1Cl
InChIInChI=1S/C10H11Cl2N5/c11-7-6-8(12)10(16-9(7)13)14-3-5-17-4-1-2-15-17/h1-2,4,6H,3,5H2,(H3,13,14,16)
InChIKeyAJYVDVPBIBMWKE-UHFFFAOYSA-N
MW272.14 g/mol
LogP2.28
Rot. Bonds4

About 3,5-dichloro-6-N-(2-pyrazol-1-ylethyl)pyridine-2,6-diamine

3,5-dichloro-6-N-(2-pyrazol-1-ylethyl)pyridine-2,6-diamine (PubChem CID 102756813) has the molecular formula C10H11Cl2N5 and a molecular weight of 272.14 g/mol. Its IUPAC name is 3,5-dichloro-6-N-(2-pyrazol-1-ylethyl)pyridine-2,6-diamine.

Molecular Properties

Compound Name3,5-dichloro-6-N-(2-pyrazol-1-ylethyl)pyridine-2,6-diamine
PubChem CID102756813
Molecular FormulaC10H11Cl2N5
Molecular Weight272.14 g/mol
Exact Mass271.04
IUPAC Name3,5-dichloro-6-N-(2-pyrazol-1-ylethyl)pyridine-2,6-diamine
SMILESNc1nc(NCCn2cccn2)c(Cl)cc1Cl
InChIInChI=1S/C10H11Cl2N5/c11-7-6-8(12)10(16-9(7)13)14-3-5-17-4-1-2-15-17/h1-2,4,6H,3,5H2,(H3,13,14,16)
InChIKeyAJYVDVPBIBMWKE-UHFFFAOYSA-N
XLogP2.28
TPSA68.76 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500272.14
LogP ≤ 52.28
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

3,5-dichloro-6-N-ethylpyridine-2,6-diamine
CID 102755516
3,5-dichloro-6-N-(2-morpholin-4-ylethyl)pyridine-2,6-diamine
CID 102755704
4-[(6-amino-3,5-dichloro-2-pyridinyl)amino]butan-1-ol
CID 106847028
5-fluoro-3-N-(2-pyrazol-1-ylethyl)benzene-1,3-diamine
CID 61459841
5-fluoro-4-N-(2-pyrazol-1-ylethyl)pyrimidine-2,4-diamine
CID 80808338
3,5-dichloro-6-N-(4-methylpentyl)pyridine-2,6-diamine
CID 102758112
3-nitro-2-N-(2-pyrazol-1-ylethyl)pyridine-2,6-diamine
CID 80809598
3-chloro-4-methyl-N-(2-pyrazol-1-ylethyl)aniline
CID 61491572
6-chloro-N-(2-pyrazol-1-ylethyl)pyridazin-4-amine
CID 114478512
6-methyl-4-N-(2-pyrazol-1-ylethyl)pyrimidine-2,4-diamine
CID 112732592
6-bromo-2-N-(2-pyrazol-1-ylethyl)pyrimidine-2,4-diamine
CID 116795802
5-amino-2-(2-pyrazol-1-ylethylamino)pyridine-3-carbonitrile
CID 54951788

Frequently Asked Questions

What is the IUPAC name of 3,5-dichloro-6-N-(2-pyrazol-1-ylethyl)pyridine-2,6-diamine?
The IUPAC name of 3,5-dichloro-6-N-(2-pyrazol-1-ylethyl)pyridine-2,6-diamine (CID 102756813) is 3,5-dichloro-6-N-(2-pyrazol-1-ylethyl)pyridine-2,6-diamine.
What is the SMILES notation for 3,5-dichloro-6-N-(2-pyrazol-1-ylethyl)pyridine-2,6-diamine?
The canonical SMILES for 3,5-dichloro-6-N-(2-pyrazol-1-ylethyl)pyridine-2,6-diamine is Nc1nc(NCCn2cccn2)c(Cl)cc1Cl.
What is the InChIKey of 3,5-dichloro-6-N-(2-pyrazol-1-ylethyl)pyridine-2,6-diamine?
The InChIKey is AJYVDVPBIBMWKE-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H11Cl2N5/c11-7-6-8(12)10(16-9(7)13)14-3-5-17-4-1-2-15-17/h1-2,4,6H,3,5H2,(H3,13,14,16).
What are the key properties of 3,5-dichloro-6-N-(2-pyrazol-1-ylethyl)pyridine-2,6-diamine?
3,5-dichloro-6-N-(2-pyrazol-1-ylethyl)pyridine-2,6-diamine has a molecular weight of 272.14 g/mol, XLogP of 2.28, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3,5-dichloro-6-N-(2-pyrazol-1-ylethyl)pyridine-2,6-diamine is sourced from PubChem (CID 102756813), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).