3,5-dichloro-6-hydrazinyl-N-[2-(4-methylpyrazol-1-yl)ethyl]pyridin-2-amine

C11H14Cl2N6 — CID 114130812

IUPAC3,5-dichloro-6-hydrazinyl-N-[2-(4-methylpyrazol-1-yl)ethyl]pyridin-2-amine
SMILESCc1cnn(CCNc2nc(NN)c(Cl)cc2Cl)c1
InChIInChI=1S/C11H14Cl2N6/c1-7-5-16-19(6-7)3-2-15-10-8(12)4-9(13)11(17-10)18-14/h4-6H,2-3,14H2,1H3,(H2,15,17,18)
InChIKeyXVJCNMBUBFWUBA-UHFFFAOYSA-N
MW301.18 g/mol
LogP2.29
Rot. Bonds5

About 3,5-dichloro-6-hydrazinyl-N-[2-(4-methylpyrazol-1-yl)ethyl]pyridin-2-amine

3,5-dichloro-6-hydrazinyl-N-[2-(4-methylpyrazol-1-yl)ethyl]pyridin-2-amine (PubChem CID 114130812) has the molecular formula C11H14Cl2N6 and a molecular weight of 301.18 g/mol. Its IUPAC name is 3,5-dichloro-6-hydrazinyl-N-[2-(4-methylpyrazol-1-yl)ethyl]pyridin-2-amine.

Molecular Properties

Compound Name3,5-dichloro-6-hydrazinyl-N-[2-(4-methylpyrazol-1-yl)ethyl]pyridin-2-amine
PubChem CID114130812
Molecular FormulaC11H14Cl2N6
Molecular Weight301.18 g/mol
Exact Mass300.07
IUPAC Name3,5-dichloro-6-hydrazinyl-N-[2-(4-methylpyrazol-1-yl)ethyl]pyridin-2-amine
SMILESCc1cnn(CCNc2nc(NN)c(Cl)cc2Cl)c1
InChIInChI=1S/C11H14Cl2N6/c1-7-5-16-19(6-7)3-2-15-10-8(12)4-9(13)11(17-10)18-14/h4-6H,2-3,14H2,1H3,(H2,15,17,18)
InChIKeyXVJCNMBUBFWUBA-UHFFFAOYSA-N
XLogP2.29
TPSA80.79 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500301.18
LogP ≤ 52.29
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'hydrazine', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 3,5-dichloro-6-hydrazinyl-N-[2-(4-methylpyrazol-1-yl)ethyl]pyridin-2-amine?
The IUPAC name of 3,5-dichloro-6-hydrazinyl-N-[2-(4-methylpyrazol-1-yl)ethyl]pyridin-2-amine (CID 114130812) is 3,5-dichloro-6-hydrazinyl-N-[2-(4-methylpyrazol-1-yl)ethyl]pyridin-2-amine.
What is the SMILES notation for 3,5-dichloro-6-hydrazinyl-N-[2-(4-methylpyrazol-1-yl)ethyl]pyridin-2-amine?
The canonical SMILES for 3,5-dichloro-6-hydrazinyl-N-[2-(4-methylpyrazol-1-yl)ethyl]pyridin-2-amine is Cc1cnn(CCNc2nc(NN)c(Cl)cc2Cl)c1.
What is the InChIKey of 3,5-dichloro-6-hydrazinyl-N-[2-(4-methylpyrazol-1-yl)ethyl]pyridin-2-amine?
The InChIKey is XVJCNMBUBFWUBA-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H14Cl2N6/c1-7-5-16-19(6-7)3-2-15-10-8(12)4-9(13)11(17-10)18-14/h4-6H,2-3,14H2,1H3,(H2,15,17,18).
What are the key properties of 3,5-dichloro-6-hydrazinyl-N-[2-(4-methylpyrazol-1-yl)ethyl]pyridin-2-amine?
3,5-dichloro-6-hydrazinyl-N-[2-(4-methylpyrazol-1-yl)ethyl]pyridin-2-amine has a molecular weight of 301.18 g/mol, XLogP of 2.29, 5 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3,5-dichloro-6-hydrazinyl-N-[2-(4-methylpyrazol-1-yl)ethyl]pyridin-2-amine is sourced from PubChem (CID 114130812), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).