3-[(2-hydrazinyl-6-methylpyrimidin-4-yl)-methylamino]propanenitrile

C9H14N6 — CID 80916985

IUPAC3-[(2-hydrazinyl-6-methylpyrimidin-4-yl)-methylamino]propanenitrile
SMILESCc1cc(N(C)CCC#N)nc(NN)n1
InChIInChI=1S/C9H14N6/c1-7-6-8(13-9(12-7)14-11)15(2)5-3-4-10/h6H,3,5,11H2,1-2H3,(H,12,13,14)
InChIKeyKIEKUDHWFZQJCY-UHFFFAOYSA-N
MW206.25 g/mol
LogP0.42
Rot. Bonds4

About 3-[(2-hydrazinyl-6-methylpyrimidin-4-yl)-methylamino]propanenitrile

3-[(2-hydrazinyl-6-methylpyrimidin-4-yl)-methylamino]propanenitrile (PubChem CID 80916985) has the molecular formula C9H14N6 and a molecular weight of 206.25 g/mol. Its IUPAC name is 3-[(2-hydrazinyl-6-methylpyrimidin-4-yl)-methylamino]propanenitrile.

Molecular Properties

Compound Name3-[(2-hydrazinyl-6-methylpyrimidin-4-yl)-methylamino]propanenitrile
PubChem CID80916985
Molecular FormulaC9H14N6
Molecular Weight206.25 g/mol
Exact Mass206.13
IUPAC Name3-[(2-hydrazinyl-6-methylpyrimidin-4-yl)-methylamino]propanenitrile
SMILESCc1cc(N(C)CCC#N)nc(NN)n1
InChIInChI=1S/C9H14N6/c1-7-6-8(13-9(12-7)14-11)15(2)5-3-4-10/h6H,3,5,11H2,1-2H3,(H,12,13,14)
InChIKeyKIEKUDHWFZQJCY-UHFFFAOYSA-N
XLogP0.42
TPSA90.86 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500206.25
LogP ≤ 50.42
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-6-methylpyrimidin-4-yl)-methylamino]propanenitrile?
The IUPAC name of 3-[(2-hydrazinyl-6-methylpyrimidin-4-yl)-methylamino]propanenitrile (CID 80916985) is 3-[(2-hydrazinyl-6-methylpyrimidin-4-yl)-methylamino]propanenitrile.
What is the SMILES notation for 3-[(2-hydrazinyl-6-methylpyrimidin-4-yl)-methylamino]propanenitrile?
The canonical SMILES for 3-[(2-hydrazinyl-6-methylpyrimidin-4-yl)-methylamino]propanenitrile is Cc1cc(N(C)CCC#N)nc(NN)n1.
What is the InChIKey of 3-[(2-hydrazinyl-6-methylpyrimidin-4-yl)-methylamino]propanenitrile?
The InChIKey is KIEKUDHWFZQJCY-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H14N6/c1-7-6-8(13-9(12-7)14-11)15(2)5-3-4-10/h6H,3,5,11H2,1-2H3,(H,12,13,14).
What are the key properties of 3-[(2-hydrazinyl-6-methylpyrimidin-4-yl)-methylamino]propanenitrile?
3-[(2-hydrazinyl-6-methylpyrimidin-4-yl)-methylamino]propanenitrile has a molecular weight of 206.25 g/mol, XLogP of 0.42, 4 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(2-hydrazinyl-6-methylpyrimidin-4-yl)-methylamino]propanenitrile is sourced from PubChem (CID 80916985), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).