(Z)-3-[(6Z)-3-chloro-6-ethylidenepyridazin-1-yl]-4-methylpent-2-en-2-amine

C12H18ClN3 — CID 129081844

IUPAC(Z)-3-[(6Z)-3-chloro-6-ethylidenepyridazin-1-yl]-4-methylpent-2-en-2-amine
SMILESC/C=C1/C=CC(Cl)=NN1/C(=C(/C)N)C(C)C
InChIInChI=1S/C12H18ClN3/c1-5-10-6-7-11(13)15-16(10)12(8(2)3)9(4)14/h5-8H,14H2,1-4H3/b10-5-,12-9-
InChIKeyNBNGZJKSRLPYFV-CGBKSYCJSA-N
MW239.75 g/mol
LogP3.16
Rot. Bonds2

About (Z)-3-[(6Z)-3-chloro-6-ethylidenepyridazin-1-yl]-4-methylpent-2-en-2-amine

(Z)-3-[(6Z)-3-chloro-6-ethylidenepyridazin-1-yl]-4-methylpent-2-en-2-amine (PubChem CID 129081844) has the molecular formula C12H18ClN3 and a molecular weight of 239.75 g/mol. Its IUPAC name is (Z)-3-[(6Z)-3-chloro-6-ethylidenepyridazin-1-yl]-4-methylpent-2-en-2-amine.

Molecular Properties

Compound Name(Z)-3-[(6Z)-3-chloro-6-ethylidenepyridazin-1-yl]-4-methylpent-2-en-2-amine
PubChem CID129081844
Molecular FormulaC12H18ClN3
Molecular Weight239.75 g/mol
Exact Mass239.12
IUPAC Name(Z)-3-[(6Z)-3-chloro-6-ethylidenepyridazin-1-yl]-4-methylpent-2-en-2-amine
SMILESC/C=C1/C=CC(Cl)=NN1/C(=C(/C)N)C(C)C
InChIInChI=1S/C12H18ClN3/c1-5-10-6-7-11(13)15-16(10)12(8(2)3)9(4)14/h5-8H,14H2,1-4H3/b10-5-,12-9-
InChIKeyNBNGZJKSRLPYFV-CGBKSYCJSA-N
XLogP3.16
TPSA41.62 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500239.75
LogP ≤ 53.16
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of (Z)-3-[(6Z)-3-chloro-6-ethylidenepyridazin-1-yl]-4-methylpent-2-en-2-amine?
The IUPAC name of (Z)-3-[(6Z)-3-chloro-6-ethylidenepyridazin-1-yl]-4-methylpent-2-en-2-amine (CID 129081844) is (Z)-3-[(6Z)-3-chloro-6-ethylidenepyridazin-1-yl]-4-methylpent-2-en-2-amine.
What is the SMILES notation for (Z)-3-[(6Z)-3-chloro-6-ethylidenepyridazin-1-yl]-4-methylpent-2-en-2-amine?
The canonical SMILES for (Z)-3-[(6Z)-3-chloro-6-ethylidenepyridazin-1-yl]-4-methylpent-2-en-2-amine is C/C=C1/C=CC(Cl)=NN1/C(=C(/C)N)C(C)C.
What is the InChIKey of (Z)-3-[(6Z)-3-chloro-6-ethylidenepyridazin-1-yl]-4-methylpent-2-en-2-amine?
The InChIKey is NBNGZJKSRLPYFV-CGBKSYCJSA-N. The full InChI is InChI=1S/C12H18ClN3/c1-5-10-6-7-11(13)15-16(10)12(8(2)3)9(4)14/h5-8H,14H2,1-4H3/b10-5-,12-9-.
What are the key properties of (Z)-3-[(6Z)-3-chloro-6-ethylidenepyridazin-1-yl]-4-methylpent-2-en-2-amine?
(Z)-3-[(6Z)-3-chloro-6-ethylidenepyridazin-1-yl]-4-methylpent-2-en-2-amine has a molecular weight of 239.75 g/mol, XLogP of 3.16, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (Z)-3-[(6Z)-3-chloro-6-ethylidenepyridazin-1-yl]-4-methylpent-2-en-2-amine is sourced from PubChem (CID 129081844), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).