N'-(2-cyanopyrimidin-4-yl)-N'-(2-methylpropyl)methanesulfonohydrazide

C10H15N5O2S — CID 70327515

IUPACN'-(2-cyanopyrimidin-4-yl)-N'-(2-methylpropyl)methanesulfonohydrazide
SMILESCC(C)CN(NS(C)(=O)=O)c1ccnc(C#N)n1
InChIInChI=1S/C10H15N5O2S/c1-8(2)7-15(14-18(3,16)17)10-4-5-12-9(6-11)13-10/h4-5,8,14H,7H2,1-3H3
InChIKeyXGXAMIBWMZMNIP-UHFFFAOYSA-N
MW269.33 g/mol
LogP0.27
Rot. Bonds5

About N'-(2-cyanopyrimidin-4-yl)-N'-(2-methylpropyl)methanesulfonohydrazide

N'-(2-cyanopyrimidin-4-yl)-N'-(2-methylpropyl)methanesulfonohydrazide (PubChem CID 70327515) has the molecular formula C10H15N5O2S and a molecular weight of 269.33 g/mol. Its IUPAC name is N'-(2-cyanopyrimidin-4-yl)-N'-(2-methylpropyl)methanesulfonohydrazide.

Molecular Properties

Compound NameN'-(2-cyanopyrimidin-4-yl)-N'-(2-methylpropyl)methanesulfonohydrazide
PubChem CID70327515
Molecular FormulaC10H15N5O2S
Molecular Weight269.33 g/mol
Exact Mass269.09
IUPAC NameN'-(2-cyanopyrimidin-4-yl)-N'-(2-methylpropyl)methanesulfonohydrazide
SMILESCC(C)CN(NS(C)(=O)=O)c1ccnc(C#N)n1
InChIInChI=1S/C10H15N5O2S/c1-8(2)7-15(14-18(3,16)17)10-4-5-12-9(6-11)13-10/h4-5,8,14H,7H2,1-3H3
InChIKeyXGXAMIBWMZMNIP-UHFFFAOYSA-N
XLogP0.27
TPSA98.98 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500269.33
LogP ≤ 50.27
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of N'-(2-cyanopyrimidin-4-yl)-N'-(2-methylpropyl)methanesulfonohydrazide?
The IUPAC name of N'-(2-cyanopyrimidin-4-yl)-N'-(2-methylpropyl)methanesulfonohydrazide (CID 70327515) is N'-(2-cyanopyrimidin-4-yl)-N'-(2-methylpropyl)methanesulfonohydrazide.
What is the SMILES notation for N'-(2-cyanopyrimidin-4-yl)-N'-(2-methylpropyl)methanesulfonohydrazide?
The canonical SMILES for N'-(2-cyanopyrimidin-4-yl)-N'-(2-methylpropyl)methanesulfonohydrazide is CC(C)CN(NS(C)(=O)=O)c1ccnc(C#N)n1.
What is the InChIKey of N'-(2-cyanopyrimidin-4-yl)-N'-(2-methylpropyl)methanesulfonohydrazide?
The InChIKey is XGXAMIBWMZMNIP-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H15N5O2S/c1-8(2)7-15(14-18(3,16)17)10-4-5-12-9(6-11)13-10/h4-5,8,14H,7H2,1-3H3.
What are the key properties of N'-(2-cyanopyrimidin-4-yl)-N'-(2-methylpropyl)methanesulfonohydrazide?
N'-(2-cyanopyrimidin-4-yl)-N'-(2-methylpropyl)methanesulfonohydrazide has a molecular weight of 269.33 g/mol, XLogP of 0.27, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N'-(2-cyanopyrimidin-4-yl)-N'-(2-methylpropyl)methanesulfonohydrazide is sourced from PubChem (CID 70327515), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).