N-(5-methylpyrimidin-4-yl)propanehydrazide

C8H12N4O — CID 71775648

IUPACN-(5-methylpyrimidin-4-yl)propanehydrazide
SMILESCCC(=O)N(N)c1ncncc1C
InChIInChI=1S/C8H12N4O/c1-3-7(13)12(9)8-6(2)4-10-5-11-8/h4-5H,3,9H2,1-2H3
InChIKeyCPHUTAVRLNEYPD-UHFFFAOYSA-N
MW180.21 g/mol
LogP0.40
Rot. Bonds2

About N-(5-methylpyrimidin-4-yl)propanehydrazide

N-(5-methylpyrimidin-4-yl)propanehydrazide (PubChem CID 71775648) has the molecular formula C8H12N4O and a molecular weight of 180.21 g/mol. Its IUPAC name is N-(5-methylpyrimidin-4-yl)propanehydrazide.

Molecular Properties

Compound NameN-(5-methylpyrimidin-4-yl)propanehydrazide
PubChem CID71775648
Molecular FormulaC8H12N4O
Molecular Weight180.21 g/mol
Exact Mass180.10
IUPAC NameN-(5-methylpyrimidin-4-yl)propanehydrazide
SMILESCCC(=O)N(N)c1ncncc1C
InChIInChI=1S/C8H12N4O/c1-3-7(13)12(9)8-6(2)4-10-5-11-8/h4-5H,3,9H2,1-2H3
InChIKeyCPHUTAVRLNEYPD-UHFFFAOYSA-N
XLogP0.40
TPSA72.11 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500180.21
LogP ≤ 50.40
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'acyl_hydrazine', 'substructure': 'N/A'}, {'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 N-(5-methylpyrimidin-4-yl)propanehydrazide?
The IUPAC name of N-(5-methylpyrimidin-4-yl)propanehydrazide (CID 71775648) is N-(5-methylpyrimidin-4-yl)propanehydrazide.
What is the SMILES notation for N-(5-methylpyrimidin-4-yl)propanehydrazide?
The canonical SMILES for N-(5-methylpyrimidin-4-yl)propanehydrazide is CCC(=O)N(N)c1ncncc1C.
What is the InChIKey of N-(5-methylpyrimidin-4-yl)propanehydrazide?
The InChIKey is CPHUTAVRLNEYPD-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H12N4O/c1-3-7(13)12(9)8-6(2)4-10-5-11-8/h4-5H,3,9H2,1-2H3.
What are the key properties of N-(5-methylpyrimidin-4-yl)propanehydrazide?
N-(5-methylpyrimidin-4-yl)propanehydrazide has a molecular weight of 180.21 g/mol, XLogP of 0.40, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(5-methylpyrimidin-4-yl)propanehydrazide is sourced from PubChem (CID 71775648), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).