2-[[3-chloro-2-(4-ethylpiperazin-1-yl)phenyl]hydrazinylidene]propanedinitrile

C15H17ClN6 — CID 169338217

IUPAC2-[[3-chloro-2-(4-ethylpiperazin-1-yl)phenyl]hydrazinylidene]propanedinitrile
SMILESCCN1CCN(c2c(Cl)cccc2NN=C(C#N)C#N)CC1
InChIInChI=1S/C15H17ClN6/c1-2-21-6-8-22(9-7-21)15-13(16)4-3-5-14(15)20-19-12(10-17)11-18/h3-5,20H,2,6-9H2,1H3
InChIKeyIFGSSORXJRKVBZ-UHFFFAOYSA-N
MW316.80 g/mol
LogP2.30
Rot. Bonds4

About 2-[[3-chloro-2-(4-ethylpiperazin-1-yl)phenyl]hydrazinylidene]propanedinitrile

2-[[3-chloro-2-(4-ethylpiperazin-1-yl)phenyl]hydrazinylidene]propanedinitrile (PubChem CID 169338217) has the molecular formula C15H17ClN6 and a molecular weight of 316.80 g/mol. Its IUPAC name is 2-[[3-chloro-2-(4-ethylpiperazin-1-yl)phenyl]hydrazinylidene]propanedinitrile.

Molecular Properties

Compound Name2-[[3-chloro-2-(4-ethylpiperazin-1-yl)phenyl]hydrazinylidene]propanedinitrile
PubChem CID169338217
Molecular FormulaC15H17ClN6
Molecular Weight316.80 g/mol
Exact Mass316.12
IUPAC Name2-[[3-chloro-2-(4-ethylpiperazin-1-yl)phenyl]hydrazinylidene]propanedinitrile
SMILESCCN1CCN(c2c(Cl)cccc2NN=C(C#N)C#N)CC1
InChIInChI=1S/C15H17ClN6/c1-2-21-6-8-22(9-7-21)15-13(16)4-3-5-14(15)20-19-12(10-17)11-18/h3-5,20H,2,6-9H2,1H3
InChIKeyIFGSSORXJRKVBZ-UHFFFAOYSA-N
XLogP2.30
TPSA78.45 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500316.80
LogP ≤ 52.30
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'cyano_imine_B(17)', 'substructure': 'N/A'}, {'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

N-[3-chloro-2-(4-ethylpiperazin-1-yl)phenyl]butanamide
CID 952456
5-chloro-N-[3-chloro-2-(4-ethylpiperazin-1-yl)phenyl]naphthalene-1-carboxamide
CID 4653783
N-[3-chloro-2-(4-ethylpiperazin-1-yl)phenyl]-4-methoxybenzamide
CID 5030809
N-[[3-chloro-2-(4-ethylpiperazin-1-yl)phenyl]carbamothioyl]butanamide
CID 3483865
(1Z)-2-amino-N-[3-chloro-2-[4-(2-methylpropanoyl)piperazin-1-yl]anilino]-2-iminoethanimidoyl cyanide
CID 172977838
N-[3-chloro-2-(4-ethylpiperazin-1-yl)phenyl]-3,4-dimethoxybenzamide
CID 5021302
N-[3-chloro-2-(4-ethylpiperazin-1-yl)phenyl]-2-(2-oxopyrimidin-1-yl)acetamide
CID 50954788
N-[3-chloro-2-(4-ethylpiperazin-1-yl)phenyl]-2-naphthalen-1-yloxyacetamide
CID 2963756
4-bromo-N-[[3-chloro-2-(4-ethylpiperazin-1-yl)phenyl]carbamothioyl]benzamide
CID 4566183
1-[2-chloro-6-(1,2,4-triazol-4-yl)phenyl]-4-ethylpiperazine
CID 50953550
2-[[4-(4-propylpiperazin-1-yl)phenyl]hydrazinylidene]propanedinitrile
CID 169339750
2-(1,3-benzoxazol-2-ylsulfanyl)-N-[3-chloro-2-(4-ethylpiperazin-1-yl)phenyl]acetamide
CID 3906746

Frequently Asked Questions

What is the IUPAC name of 2-[[3-chloro-2-(4-ethylpiperazin-1-yl)phenyl]hydrazinylidene]propanedinitrile?
The IUPAC name of 2-[[3-chloro-2-(4-ethylpiperazin-1-yl)phenyl]hydrazinylidene]propanedinitrile (CID 169338217) is 2-[[3-chloro-2-(4-ethylpiperazin-1-yl)phenyl]hydrazinylidene]propanedinitrile.
What is the SMILES notation for 2-[[3-chloro-2-(4-ethylpiperazin-1-yl)phenyl]hydrazinylidene]propanedinitrile?
The canonical SMILES for 2-[[3-chloro-2-(4-ethylpiperazin-1-yl)phenyl]hydrazinylidene]propanedinitrile is CCN1CCN(c2c(Cl)cccc2NN=C(C#N)C#N)CC1.
What is the InChIKey of 2-[[3-chloro-2-(4-ethylpiperazin-1-yl)phenyl]hydrazinylidene]propanedinitrile?
The InChIKey is IFGSSORXJRKVBZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H17ClN6/c1-2-21-6-8-22(9-7-21)15-13(16)4-3-5-14(15)20-19-12(10-17)11-18/h3-5,20H,2,6-9H2,1H3.
What are the key properties of 2-[[3-chloro-2-(4-ethylpiperazin-1-yl)phenyl]hydrazinylidene]propanedinitrile?
2-[[3-chloro-2-(4-ethylpiperazin-1-yl)phenyl]hydrazinylidene]propanedinitrile has a molecular weight of 316.80 g/mol, XLogP of 2.30, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[3-chloro-2-(4-ethylpiperazin-1-yl)phenyl]hydrazinylidene]propanedinitrile is sourced from PubChem (CID 169338217), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).