1-(2-methylhydrazinyl)-3-propan-2-ylurea

C5H14N4O — CID 21400321

IUPAC1-(2-methylhydrazinyl)-3-propan-2-ylurea
SMILESCNNNC(=O)NC(C)C
InChIInChI=1S/C5H14N4O/c1-4(2)7-5(10)8-9-6-3/h4,6,9H,1-3H3,(H2,7,8,10)
InChIKeyYSXBIAOMHKDCLZ-UHFFFAOYSA-N
MW146.19 g/mol
LogP-0.67
Rot. Bonds3

About 1-(2-methylhydrazinyl)-3-propan-2-ylurea

1-(2-methylhydrazinyl)-3-propan-2-ylurea (PubChem CID 21400321) has the molecular formula C5H14N4O and a molecular weight of 146.19 g/mol. Its IUPAC name is 1-(2-methylhydrazinyl)-3-propan-2-ylurea.

Molecular Properties

Compound Name1-(2-methylhydrazinyl)-3-propan-2-ylurea
PubChem CID21400321
Molecular FormulaC5H14N4O
Molecular Weight146.19 g/mol
Exact Mass146.12
IUPAC Name1-(2-methylhydrazinyl)-3-propan-2-ylurea
SMILESCNNNC(=O)NC(C)C
InChIInChI=1S/C5H14N4O/c1-4(2)7-5(10)8-9-6-3/h4,6,9H,1-3H3,(H2,7,8,10)
InChIKeyYSXBIAOMHKDCLZ-UHFFFAOYSA-N
XLogP-0.67
TPSA65.19 Ų
H-Bond Donors4
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500146.19
LogP ≤ 5-0.67
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 103

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 1-(2-methylhydrazinyl)-3-propan-2-ylurea?
The IUPAC name of 1-(2-methylhydrazinyl)-3-propan-2-ylurea (CID 21400321) is 1-(2-methylhydrazinyl)-3-propan-2-ylurea.
What is the SMILES notation for 1-(2-methylhydrazinyl)-3-propan-2-ylurea?
The canonical SMILES for 1-(2-methylhydrazinyl)-3-propan-2-ylurea is CNNNC(=O)NC(C)C.
What is the InChIKey of 1-(2-methylhydrazinyl)-3-propan-2-ylurea?
The InChIKey is YSXBIAOMHKDCLZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H14N4O/c1-4(2)7-5(10)8-9-6-3/h4,6,9H,1-3H3,(H2,7,8,10).
What are the key properties of 1-(2-methylhydrazinyl)-3-propan-2-ylurea?
1-(2-methylhydrazinyl)-3-propan-2-ylurea has a molecular weight of 146.19 g/mol, XLogP of -0.67, 3 rotatable bonds, 4 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-methylhydrazinyl)-3-propan-2-ylurea is sourced from PubChem (CID 21400321), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).