3-[(5-hydrazinylpyrazin-2-yl)methyl-methylamino]butanenitrile

C10H16N6 — CID 103060976

IUPAC3-[(5-hydrazinylpyrazin-2-yl)methyl-methylamino]butanenitrile
SMILESCC(CC#N)N(C)Cc1cnc(NN)cn1
InChIInChI=1S/C10H16N6/c1-8(3-4-11)16(2)7-9-5-14-10(15-12)6-13-9/h5-6,8H,3,7,12H2,1-2H3,(H,14,15)
InChIKeyWHSNLVRPEWVTHQ-UHFFFAOYSA-N
MW220.28 g/mol
LogP0.50
Rot. Bonds5

About 3-[(5-hydrazinylpyrazin-2-yl)methyl-methylamino]butanenitrile

3-[(5-hydrazinylpyrazin-2-yl)methyl-methylamino]butanenitrile (PubChem CID 103060976) has the molecular formula C10H16N6 and a molecular weight of 220.28 g/mol. Its IUPAC name is 3-[(5-hydrazinylpyrazin-2-yl)methyl-methylamino]butanenitrile.

Molecular Properties

Compound Name3-[(5-hydrazinylpyrazin-2-yl)methyl-methylamino]butanenitrile
PubChem CID103060976
Molecular FormulaC10H16N6
Molecular Weight220.28 g/mol
Exact Mass220.14
IUPAC Name3-[(5-hydrazinylpyrazin-2-yl)methyl-methylamino]butanenitrile
SMILESCC(CC#N)N(C)Cc1cnc(NN)cn1
InChIInChI=1S/C10H16N6/c1-8(3-4-11)16(2)7-9-5-14-10(15-12)6-13-9/h5-6,8H,3,7,12H2,1-2H3,(H,14,15)
InChIKeyWHSNLVRPEWVTHQ-UHFFFAOYSA-N
XLogP0.50
TPSA90.86 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500220.28
LogP ≤ 50.50
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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

N-[(5-hydrazinylpyrazin-2-yl)methyl]-N-methylbutan-2-amine
CID 103060886
1-(5-hydrazinylpyrazin-2-yl)-N,N-dimethylmethanamine
CID 103060816
N-[(5-hydrazinylpyrazin-2-yl)methyl]-N,3-dimethylbutan-1-amine
CID 103060692
N-[(5-hydrazinylpyrazin-2-yl)methyl]-N-methyl-2-methylsulfanylethanamine
CID 103061186
N-[(5-hydrazinylpyrazin-2-yl)methyl]-N-methylcyclopropanamine
CID 103060869
N'-[(5-hydrazinylpyrazin-2-yl)methyl]-N,N,N'-trimethylpropane-1,3-diamine
CID 103061005
(5-propylpyrazin-2-yl)hydrazine
CID 123407613
3-[(6-hydrazinyl-2-propylpyrimidin-4-yl)-methylamino]butanenitrile
CID 80947733
N-ethyl-N-[(5-hydrazinylpyrazin-2-yl)methyl]aniline
CID 103060815
1-(5-hydrazinylpyrazin-2-yl)-N-methyl-N-(1,3-thiazol-4-ylmethyl)methanamine
CID 103060502
2-[(5-hydrazinylpyrazin-2-yl)methyl-(2-methylpropyl)amino]acetamide
CID 103060565
3-[(4-aminophenyl)methyl-methylamino]butanenitrile
CID 63225440

Frequently Asked Questions

What is the IUPAC name of 3-[(5-hydrazinylpyrazin-2-yl)methyl-methylamino]butanenitrile?
The IUPAC name of 3-[(5-hydrazinylpyrazin-2-yl)methyl-methylamino]butanenitrile (CID 103060976) is 3-[(5-hydrazinylpyrazin-2-yl)methyl-methylamino]butanenitrile.
What is the SMILES notation for 3-[(5-hydrazinylpyrazin-2-yl)methyl-methylamino]butanenitrile?
The canonical SMILES for 3-[(5-hydrazinylpyrazin-2-yl)methyl-methylamino]butanenitrile is CC(CC#N)N(C)Cc1cnc(NN)cn1.
What is the InChIKey of 3-[(5-hydrazinylpyrazin-2-yl)methyl-methylamino]butanenitrile?
The InChIKey is WHSNLVRPEWVTHQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H16N6/c1-8(3-4-11)16(2)7-9-5-14-10(15-12)6-13-9/h5-6,8H,3,7,12H2,1-2H3,(H,14,15).
What are the key properties of 3-[(5-hydrazinylpyrazin-2-yl)methyl-methylamino]butanenitrile?
3-[(5-hydrazinylpyrazin-2-yl)methyl-methylamino]butanenitrile has a molecular weight of 220.28 g/mol, XLogP of 0.50, 5 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(5-hydrazinylpyrazin-2-yl)methyl-methylamino]butanenitrile is sourced from PubChem (CID 103060976), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).