2-pyrimidin-4-ylacetohydrazide

C6H8N4O — CID 156821377

IUPAC2-pyrimidin-4-ylacetohydrazide
SMILESNNC(=O)Cc1ccncn1
InChIInChI=1S/C6H8N4O/c7-10-6(11)3-5-1-2-8-4-9-5/h1-2,4H,3,7H2,(H,10,11)
InChIKeyKNLFGUBLGKPLER-UHFFFAOYSA-N
MW152.16 g/mol
LogP-0.99
Rot. Bonds2

About 2-pyrimidin-4-ylacetohydrazide

2-pyrimidin-4-ylacetohydrazide (PubChem CID 156821377) has the molecular formula C6H8N4O and a molecular weight of 152.16 g/mol. Its IUPAC name is 2-pyrimidin-4-ylacetohydrazide.

Molecular Properties

Compound Name2-pyrimidin-4-ylacetohydrazide
PubChem CID156821377
Molecular FormulaC6H8N4O
Molecular Weight152.16 g/mol
Exact Mass152.07
IUPAC Name2-pyrimidin-4-ylacetohydrazide
SMILESNNC(=O)Cc1ccncn1
InChIInChI=1S/C6H8N4O/c7-10-6(11)3-5-1-2-8-4-9-5/h1-2,4H,3,7H2,(H,10,11)
InChIKeyKNLFGUBLGKPLER-UHFFFAOYSA-N
XLogP-0.99
TPSA80.90 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500152.16
LogP ≤ 5-0.99
H-Bond Donors ≤ 52
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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Related Compounds

1-amino-3-pyrimidin-4-ylpropan-2-one
CID 177333601
2-(4-aminophenyl)-N-(pyrimidin-4-ylmethyl)acetamide
CID 114110299
2-(1,3-thiazol-4-yl)acetohydrazide
CID 53297918
N'-hydroxy-2-pyrimidin-4-ylethanimidamide
CID 83872565
2-(pyrimidin-4-ylmethylamino)acetamide
CID 62758549
3-pyrimidin-4-ylsulfanylbutanehydrazide
CID 63696626
ethane;pyrimidin-4-ylmethanamine
CID 90939628
4-(pyrimidin-4-ylmethylamino)benzoic acid
CID 55210671
4,4-dimethyl-1-pyrimidin-4-ylpentan-3-one
CID 158821572
1-(4-tert-butyl-2-methylphenyl)-2-pyrimidin-4-ylethanone
CID 116832845
4-(pyrimidin-4-ylmethyl)pyridazine-3-carboxamide
CID 140674311
1-(5-tert-butyl-2-methylphenyl)-2-pyrimidin-4-ylethanone
CID 116832806

Frequently Asked Questions

What is the IUPAC name of 2-pyrimidin-4-ylacetohydrazide?
The IUPAC name of 2-pyrimidin-4-ylacetohydrazide (CID 156821377) is 2-pyrimidin-4-ylacetohydrazide.
What is the SMILES notation for 2-pyrimidin-4-ylacetohydrazide?
The canonical SMILES for 2-pyrimidin-4-ylacetohydrazide is NNC(=O)Cc1ccncn1.
What is the InChIKey of 2-pyrimidin-4-ylacetohydrazide?
The InChIKey is KNLFGUBLGKPLER-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H8N4O/c7-10-6(11)3-5-1-2-8-4-9-5/h1-2,4H,3,7H2,(H,10,11).
What are the key properties of 2-pyrimidin-4-ylacetohydrazide?
2-pyrimidin-4-ylacetohydrazide has a molecular weight of 152.16 g/mol, XLogP of -0.99, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-pyrimidin-4-ylacetohydrazide is sourced from PubChem (CID 156821377), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).