3-[(6-hydrazinyl-5-propylpyrimidin-4-yl)-methylamino]propanenitrile

C11H18N6 — CID 80916482

IUPAC3-[(6-hydrazinyl-5-propylpyrimidin-4-yl)-methylamino]propanenitrile
SMILESCCCc1c(NN)ncnc1N(C)CCC#N
InChIInChI=1S/C11H18N6/c1-3-5-9-10(16-13)14-8-15-11(9)17(2)7-4-6-12/h8H,3-5,7,13H2,1-2H3,(H,14,15,16)
InChIKeyXVCSQEPQYVTBLB-UHFFFAOYSA-N
MW234.31 g/mol
LogP1.06
Rot. Bonds6

About 3-[(6-hydrazinyl-5-propylpyrimidin-4-yl)-methylamino]propanenitrile

3-[(6-hydrazinyl-5-propylpyrimidin-4-yl)-methylamino]propanenitrile (PubChem CID 80916482) has the molecular formula C11H18N6 and a molecular weight of 234.31 g/mol. Its IUPAC name is 3-[(6-hydrazinyl-5-propylpyrimidin-4-yl)-methylamino]propanenitrile.

Molecular Properties

Compound Name3-[(6-hydrazinyl-5-propylpyrimidin-4-yl)-methylamino]propanenitrile
PubChem CID80916482
Molecular FormulaC11H18N6
Molecular Weight234.31 g/mol
Exact Mass234.16
IUPAC Name3-[(6-hydrazinyl-5-propylpyrimidin-4-yl)-methylamino]propanenitrile
SMILESCCCc1c(NN)ncnc1N(C)CCC#N
InChIInChI=1S/C11H18N6/c1-3-5-9-10(16-13)14-8-15-11(9)17(2)7-4-6-12/h8H,3-5,7,13H2,1-2H3,(H,14,15,16)
InChIKeyXVCSQEPQYVTBLB-UHFFFAOYSA-N
XLogP1.06
TPSA90.86 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500234.31
LogP ≤ 51.06
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

3-[(6-hydrazinyl-5-propylpyrimidin-4-yl)-(2-methylpropyl)amino]propanenitrile
CID 80900553
6-hydrazinyl-N,N-dimethyl-5-propylpyrimidin-4-amine
CID 80932720
3-[(6-hydrazinyl-5-nitropyrimidin-4-yl)-methylamino]propanenitrile
CID 80916272
6-hydrazinyl-N-methyl-5-propyl-N-(2-thiophen-2-ylethyl)pyrimidin-4-amine
CID 80929501
6-hydrazinyl-N-methyl-N-pentan-2-yl-5-propylpyrimidin-4-amine
CID 80906528
2-[(6-hydrazinyl-5-propylpyrimidin-4-yl)-methylamino]-N,N-dimethylacetamide
CID 80894743
2-[(6-hydrazinyl-5-propylpyrimidin-4-yl)-methylamino]propan-1-ol
CID 104557148
2-[(6-hydrazinyl-5-propylpyrimidin-4-yl)-methylamino]-N-methylacetamide
CID 80894065
N-[(4-fluorophenyl)methyl]-6-hydrazinyl-N-methyl-5-propylpyrimidin-4-amine
CID 80899566
N'-(5-ethyl-6-hydrazinylpyrimidin-4-yl)-N,N,N'-trimethylethane-1,2-diamine
CID 80909904
N-(1-cyclopropylethyl)-6-hydrazinyl-N-methyl-5-propylpyrimidin-4-amine
CID 80906264
3-[(5-ethyl-6-hydrazinylpyrimidin-4-yl)-(2-methoxyethyl)amino]propanenitrile
CID 80914663

Frequently Asked Questions

What is the IUPAC name of 3-[(6-hydrazinyl-5-propylpyrimidin-4-yl)-methylamino]propanenitrile?
The IUPAC name of 3-[(6-hydrazinyl-5-propylpyrimidin-4-yl)-methylamino]propanenitrile (CID 80916482) is 3-[(6-hydrazinyl-5-propylpyrimidin-4-yl)-methylamino]propanenitrile.
What is the SMILES notation for 3-[(6-hydrazinyl-5-propylpyrimidin-4-yl)-methylamino]propanenitrile?
The canonical SMILES for 3-[(6-hydrazinyl-5-propylpyrimidin-4-yl)-methylamino]propanenitrile is CCCc1c(NN)ncnc1N(C)CCC#N.
What is the InChIKey of 3-[(6-hydrazinyl-5-propylpyrimidin-4-yl)-methylamino]propanenitrile?
The InChIKey is XVCSQEPQYVTBLB-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H18N6/c1-3-5-9-10(16-13)14-8-15-11(9)17(2)7-4-6-12/h8H,3-5,7,13H2,1-2H3,(H,14,15,16).
What are the key properties of 3-[(6-hydrazinyl-5-propylpyrimidin-4-yl)-methylamino]propanenitrile?
3-[(6-hydrazinyl-5-propylpyrimidin-4-yl)-methylamino]propanenitrile has a molecular weight of 234.31 g/mol, XLogP of 1.06, 6 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(6-hydrazinyl-5-propylpyrimidin-4-yl)-methylamino]propanenitrile is sourced from PubChem (CID 80916482), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).