N'-[(3Z)-4-hydrazinylpenta-1,3-dien-2-yl]-N-(5-methyl-1H-pyrazol-3-yl)ethane-1,2-diamine

C11H20N6 — CID 89272215

IUPACN'-[(3Z)-4-hydrazinylpenta-1,3-dien-2-yl]-N-(5-methyl-1H-pyrazol-3-yl)ethane-1,2-diamine
SMILESC=C(/C=C(/C)NN)NCCNc1cc(C)[nH]n1
InChIInChI=1S/C11H20N6/c1-8(6-9(2)15-12)13-4-5-14-11-7-10(3)16-17-11/h6-7,13,15H,1,4-5,12H2,2-3H3,(H2,14,16,17)/b9-6-
InChIKeyBHESROCUIBKMNH-TWGQIWQCSA-N
MW236.32 g/mol
LogP0.60
Rot. Bonds7

About N'-[(3Z)-4-hydrazinylpenta-1,3-dien-2-yl]-N-(5-methyl-1H-pyrazol-3-yl)ethane-1,2-diamine

N'-[(3Z)-4-hydrazinylpenta-1,3-dien-2-yl]-N-(5-methyl-1H-pyrazol-3-yl)ethane-1,2-diamine (PubChem CID 89272215) has the molecular formula C11H20N6 and a molecular weight of 236.32 g/mol. Its IUPAC name is N'-[(3Z)-4-hydrazinylpenta-1,3-dien-2-yl]-N-(5-methyl-1H-pyrazol-3-yl)ethane-1,2-diamine.

Molecular Properties

Compound NameN'-[(3Z)-4-hydrazinylpenta-1,3-dien-2-yl]-N-(5-methyl-1H-pyrazol-3-yl)ethane-1,2-diamine
PubChem CID89272215
Molecular FormulaC11H20N6
Molecular Weight236.32 g/mol
Exact Mass236.17
IUPAC NameN'-[(3Z)-4-hydrazinylpenta-1,3-dien-2-yl]-N-(5-methyl-1H-pyrazol-3-yl)ethane-1,2-diamine
SMILESC=C(/C=C(/C)NN)NCCNc1cc(C)[nH]n1
InChIInChI=1S/C11H20N6/c1-8(6-9(2)15-12)13-4-5-14-11-7-10(3)16-17-11/h6-7,13,15H,1,4-5,12H2,2-3H3,(H2,14,16,17)/b9-6-
InChIKeyBHESROCUIBKMNH-TWGQIWQCSA-N
XLogP0.60
TPSA90.79 Ų
H-Bond Donors5
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500236.32
LogP ≤ 50.60
H-Bond Donors ≤ 55
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of N'-[(3Z)-4-hydrazinylpenta-1,3-dien-2-yl]-N-(5-methyl-1H-pyrazol-3-yl)ethane-1,2-diamine?
The IUPAC name of N'-[(3Z)-4-hydrazinylpenta-1,3-dien-2-yl]-N-(5-methyl-1H-pyrazol-3-yl)ethane-1,2-diamine (CID 89272215) is N'-[(3Z)-4-hydrazinylpenta-1,3-dien-2-yl]-N-(5-methyl-1H-pyrazol-3-yl)ethane-1,2-diamine.
What is the SMILES notation for N'-[(3Z)-4-hydrazinylpenta-1,3-dien-2-yl]-N-(5-methyl-1H-pyrazol-3-yl)ethane-1,2-diamine?
The canonical SMILES for N'-[(3Z)-4-hydrazinylpenta-1,3-dien-2-yl]-N-(5-methyl-1H-pyrazol-3-yl)ethane-1,2-diamine is C=C(/C=C(/C)NN)NCCNc1cc(C)[nH]n1.
What is the InChIKey of N'-[(3Z)-4-hydrazinylpenta-1,3-dien-2-yl]-N-(5-methyl-1H-pyrazol-3-yl)ethane-1,2-diamine?
The InChIKey is BHESROCUIBKMNH-TWGQIWQCSA-N. The full InChI is InChI=1S/C11H20N6/c1-8(6-9(2)15-12)13-4-5-14-11-7-10(3)16-17-11/h6-7,13,15H,1,4-5,12H2,2-3H3,(H2,14,16,17)/b9-6-.
What are the key properties of N'-[(3Z)-4-hydrazinylpenta-1,3-dien-2-yl]-N-(5-methyl-1H-pyrazol-3-yl)ethane-1,2-diamine?
N'-[(3Z)-4-hydrazinylpenta-1,3-dien-2-yl]-N-(5-methyl-1H-pyrazol-3-yl)ethane-1,2-diamine has a molecular weight of 236.32 g/mol, XLogP of 0.60, 7 rotatable bonds, 5 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N'-[(3Z)-4-hydrazinylpenta-1,3-dien-2-yl]-N-(5-methyl-1H-pyrazol-3-yl)ethane-1,2-diamine is sourced from PubChem (CID 89272215), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).