3-[(2-hydrazinyl-1,3-thiazol-5-yl)methyl-methylamino]-2-methylpropanenitrile

C9H15N5S — CID 79765526

IUPAC3-[(2-hydrazinyl-1,3-thiazol-5-yl)methyl-methylamino]-2-methylpropanenitrile
SMILESCC(C#N)CN(C)Cc1cnc(NN)s1
InChIInChI=1S/C9H15N5S/c1-7(3-10)5-14(2)6-8-4-12-9(13-11)15-8/h4,7H,5-6,11H2,1-2H3,(H,12,13)
InChIKeyPARJZBUSUYRIDA-UHFFFAOYSA-N
MW225.32 g/mol
LogP1.02
Rot. Bonds5

About 3-[(2-hydrazinyl-1,3-thiazol-5-yl)methyl-methylamino]-2-methylpropanenitrile

3-[(2-hydrazinyl-1,3-thiazol-5-yl)methyl-methylamino]-2-methylpropanenitrile (PubChem CID 79765526) has the molecular formula C9H15N5S and a molecular weight of 225.32 g/mol. Its IUPAC name is 3-[(2-hydrazinyl-1,3-thiazol-5-yl)methyl-methylamino]-2-methylpropanenitrile.

Molecular Properties

Compound Name3-[(2-hydrazinyl-1,3-thiazol-5-yl)methyl-methylamino]-2-methylpropanenitrile
PubChem CID79765526
Molecular FormulaC9H15N5S
Molecular Weight225.32 g/mol
Exact Mass225.10
IUPAC Name3-[(2-hydrazinyl-1,3-thiazol-5-yl)methyl-methylamino]-2-methylpropanenitrile
SMILESCC(C#N)CN(C)Cc1cnc(NN)s1
InChIInChI=1S/C9H15N5S/c1-7(3-10)5-14(2)6-8-4-12-9(13-11)15-8/h4,7H,5-6,11H2,1-2H3,(H,12,13)
InChIKeyPARJZBUSUYRIDA-UHFFFAOYSA-N
XLogP1.02
TPSA77.97 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500225.32
LogP ≤ 51.02
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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Frequently Asked Questions

What is the IUPAC name of 3-[(2-hydrazinyl-1,3-thiazol-5-yl)methyl-methylamino]-2-methylpropanenitrile?
The IUPAC name of 3-[(2-hydrazinyl-1,3-thiazol-5-yl)methyl-methylamino]-2-methylpropanenitrile (CID 79765526) is 3-[(2-hydrazinyl-1,3-thiazol-5-yl)methyl-methylamino]-2-methylpropanenitrile.
What is the SMILES notation for 3-[(2-hydrazinyl-1,3-thiazol-5-yl)methyl-methylamino]-2-methylpropanenitrile?
The canonical SMILES for 3-[(2-hydrazinyl-1,3-thiazol-5-yl)methyl-methylamino]-2-methylpropanenitrile is CC(C#N)CN(C)Cc1cnc(NN)s1.
What is the InChIKey of 3-[(2-hydrazinyl-1,3-thiazol-5-yl)methyl-methylamino]-2-methylpropanenitrile?
The InChIKey is PARJZBUSUYRIDA-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H15N5S/c1-7(3-10)5-14(2)6-8-4-12-9(13-11)15-8/h4,7H,5-6,11H2,1-2H3,(H,12,13).
What are the key properties of 3-[(2-hydrazinyl-1,3-thiazol-5-yl)methyl-methylamino]-2-methylpropanenitrile?
3-[(2-hydrazinyl-1,3-thiazol-5-yl)methyl-methylamino]-2-methylpropanenitrile has a molecular weight of 225.32 g/mol, XLogP of 1.02, 5 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(2-hydrazinyl-1,3-thiazol-5-yl)methyl-methylamino]-2-methylpropanenitrile is sourced from PubChem (CID 79765526), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).