3-[[(2-hydrazinyl-3-pyridinyl)methyl-methylamino]methyl]benzonitrile

C15H17N5 — CID 62968285

IUPAC3-[[(2-hydrazinyl-3-pyridinyl)methyl-methylamino]methyl]benzonitrile
SMILESCN(Cc1cccc(C#N)c1)Cc1cccnc1NN
InChIInChI=1S/C15H17N5/c1-20(10-13-5-2-4-12(8-13)9-16)11-14-6-3-7-18-15(14)19-17/h2-8H,10-11,17H2,1H3,(H,18,19)
InChIKeyULSLRYCSJKWSDH-UHFFFAOYSA-N
MW267.34 g/mol
LogP1.87
Rot. Bonds5

About 3-[[(2-hydrazinyl-3-pyridinyl)methyl-methylamino]methyl]benzonitrile

3-[[(2-hydrazinyl-3-pyridinyl)methyl-methylamino]methyl]benzonitrile (PubChem CID 62968285) has the molecular formula C15H17N5 and a molecular weight of 267.34 g/mol. Its IUPAC name is 3-[[(2-hydrazinyl-3-pyridinyl)methyl-methylamino]methyl]benzonitrile.

Molecular Properties

Compound Name3-[[(2-hydrazinyl-3-pyridinyl)methyl-methylamino]methyl]benzonitrile
PubChem CID62968285
Molecular FormulaC15H17N5
Molecular Weight267.34 g/mol
Exact Mass267.15
IUPAC Name3-[[(2-hydrazinyl-3-pyridinyl)methyl-methylamino]methyl]benzonitrile
SMILESCN(Cc1cccc(C#N)c1)Cc1cccnc1NN
InChIInChI=1S/C15H17N5/c1-20(10-13-5-2-4-12(8-13)9-16)11-14-6-3-7-18-15(14)19-17/h2-8H,10-11,17H2,1H3,(H,18,19)
InChIKeyULSLRYCSJKWSDH-UHFFFAOYSA-N
XLogP1.87
TPSA77.97 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500267.34
LogP ≤ 51.87
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

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CID 79232014
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CID 60696115
2-[(3-cyanophenyl)methyl-methylamino]acetohydrazide
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3-[[methyl-[(2-methylfuran-3-yl)methyl]amino]methyl]benzonitrile
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3-[[(4-iodophenyl)methyl-methylamino]methyl]benzonitrile
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3-[[methyl(1,3-thiazol-4-ylmethyl)amino]methyl]benzonitrile
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3-[[(3-methoxyphenyl)methyl-methylamino]methyl]pyridine-2-carbonitrile
CID 62921449
1-(2-hydrazinyl-3-pyridinyl)-N-methyl-N-[(2-methylfuran-3-yl)methyl]methanamine
CID 62469731
3-[[(2-methoxy-5-methylphenyl)methyl-methylamino]methyl]benzonitrile
CID 51224116
5-[[(3-cyanophenyl)methyl-methylamino]methyl]furan-2-carbohydrazide
CID 63585765
3-[[methyl(2-phenylethyl)amino]methyl]benzonitrile
CID 5253461
3-[[(3-cyanophenyl)methyl-methylamino]methyl]benzoic acid
CID 62970028

Frequently Asked Questions

What is the IUPAC name of 3-[[(2-hydrazinyl-3-pyridinyl)methyl-methylamino]methyl]benzonitrile?
The IUPAC name of 3-[[(2-hydrazinyl-3-pyridinyl)methyl-methylamino]methyl]benzonitrile (CID 62968285) is 3-[[(2-hydrazinyl-3-pyridinyl)methyl-methylamino]methyl]benzonitrile.
What is the SMILES notation for 3-[[(2-hydrazinyl-3-pyridinyl)methyl-methylamino]methyl]benzonitrile?
The canonical SMILES for 3-[[(2-hydrazinyl-3-pyridinyl)methyl-methylamino]methyl]benzonitrile is CN(Cc1cccc(C#N)c1)Cc1cccnc1NN.
What is the InChIKey of 3-[[(2-hydrazinyl-3-pyridinyl)methyl-methylamino]methyl]benzonitrile?
The InChIKey is ULSLRYCSJKWSDH-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H17N5/c1-20(10-13-5-2-4-12(8-13)9-16)11-14-6-3-7-18-15(14)19-17/h2-8H,10-11,17H2,1H3,(H,18,19).
What are the key properties of 3-[[(2-hydrazinyl-3-pyridinyl)methyl-methylamino]methyl]benzonitrile?
3-[[(2-hydrazinyl-3-pyridinyl)methyl-methylamino]methyl]benzonitrile has a molecular weight of 267.34 g/mol, XLogP of 1.87, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[[(2-hydrazinyl-3-pyridinyl)methyl-methylamino]methyl]benzonitrile is sourced from PubChem (CID 62968285), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).