6-chloro-4,5-dimethyl-N-[(E)-pent-3-enyl]pyridazin-3-amine

C11H16ClN3 — CID 106195870

IUPAC6-chloro-4,5-dimethyl-N-[(E)-pent-3-enyl]pyridazin-3-amine
SMILESC/C=C/CCNc1nnc(Cl)c(C)c1C
InChIInChI=1S/C11H16ClN3/c1-4-5-6-7-13-11-9(3)8(2)10(12)14-15-11/h4-5H,6-7H2,1-3H3,(H,13,15)/b5-4+
InChIKeyDRRLVYKFDKDXIV-SNAWJCMRSA-N
MW225.72 g/mol
LogP3.12
Rot. Bonds4

About 6-chloro-4,5-dimethyl-N-[(E)-pent-3-enyl]pyridazin-3-amine

6-chloro-4,5-dimethyl-N-[(E)-pent-3-enyl]pyridazin-3-amine (PubChem CID 106195870) has the molecular formula C11H16ClN3 and a molecular weight of 225.72 g/mol. Its IUPAC name is 6-chloro-4,5-dimethyl-N-[(E)-pent-3-enyl]pyridazin-3-amine.

Molecular Properties

Compound Name6-chloro-4,5-dimethyl-N-[(E)-pent-3-enyl]pyridazin-3-amine
PubChem CID106195870
Molecular FormulaC11H16ClN3
Molecular Weight225.72 g/mol
Exact Mass225.10
IUPAC Name6-chloro-4,5-dimethyl-N-[(E)-pent-3-enyl]pyridazin-3-amine
SMILESC/C=C/CCNc1nnc(Cl)c(C)c1C
InChIInChI=1S/C11H16ClN3/c1-4-5-6-7-13-11-9(3)8(2)10(12)14-15-11/h4-5H,6-7H2,1-3H3,(H,13,15)/b5-4+
InChIKeyDRRLVYKFDKDXIV-SNAWJCMRSA-N
XLogP3.12
TPSA37.81 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500225.72
LogP ≤ 53.12
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

4-[(6-chloro-4,5-dimethylpyridazin-3-yl)amino]butanamide
CID 63271549
6-chloro-N-(3-methoxypropyl)-4,5-dimethylpyridazin-3-amine
CID 63271760
6-chloro-4,5-dimethyl-N-(3-phenylpropyl)pyridazin-3-amine
CID 63271631
6-chloro-N-[2-(5-chlorothiophen-2-yl)ethyl]-4,5-dimethylpyridazin-3-amine
CID 106038485
6-chloro-4,5-dimethyl-N-(2-thiophen-2-ylethyl)pyridazin-3-amine
CID 63271585
6-chloro-4,5-dimethyl-N-(2,2,2-trifluoroethyl)pyridazin-3-amine
CID 63271501
2-chloro-5-methyl-N-[(E)-pent-3-enyl]pyrimidin-4-amine
CID 106195918
6-chloro-N,4,5-trimethylpyridazin-3-amine
CID 63271800
6-chloro-4,5-dimethyl-N-(2-phenoxyethyl)pyridazin-3-amine
CID 63271688
4,6-dichloro-N-[(E)-pent-3-enyl]-1,3,5-triazin-2-amine
CID 106195869
6-chloro-N-(2-methoxypropyl)-4,5-dimethylpyridazin-3-amine
CID 102699930
N-benzyl-6-chloro-4,5-dimethylpyridazin-3-amine
CID 63271969

Frequently Asked Questions

What is the IUPAC name of 6-chloro-4,5-dimethyl-N-[(E)-pent-3-enyl]pyridazin-3-amine?
The IUPAC name of 6-chloro-4,5-dimethyl-N-[(E)-pent-3-enyl]pyridazin-3-amine (CID 106195870) is 6-chloro-4,5-dimethyl-N-[(E)-pent-3-enyl]pyridazin-3-amine.
What is the SMILES notation for 6-chloro-4,5-dimethyl-N-[(E)-pent-3-enyl]pyridazin-3-amine?
The canonical SMILES for 6-chloro-4,5-dimethyl-N-[(E)-pent-3-enyl]pyridazin-3-amine is C/C=C/CCNc1nnc(Cl)c(C)c1C.
What is the InChIKey of 6-chloro-4,5-dimethyl-N-[(E)-pent-3-enyl]pyridazin-3-amine?
The InChIKey is DRRLVYKFDKDXIV-SNAWJCMRSA-N. The full InChI is InChI=1S/C11H16ClN3/c1-4-5-6-7-13-11-9(3)8(2)10(12)14-15-11/h4-5H,6-7H2,1-3H3,(H,13,15)/b5-4+.
What are the key properties of 6-chloro-4,5-dimethyl-N-[(E)-pent-3-enyl]pyridazin-3-amine?
6-chloro-4,5-dimethyl-N-[(E)-pent-3-enyl]pyridazin-3-amine has a molecular weight of 225.72 g/mol, XLogP of 3.12, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-chloro-4,5-dimethyl-N-[(E)-pent-3-enyl]pyridazin-3-amine is sourced from PubChem (CID 106195870), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).