1,3-diaminourea;methane

C2H10N4O — CID 159116698

IUPAC1,3-diaminourea;methane
SMILESC.NNC(=O)NN
InChIInChI=1S/CH6N4O.CH4/c2-4-1(6)5-3;/h2-3H2,(H2,4,5,6);1H4
InChIKeyKFEICJDNSMAPSE-UHFFFAOYSA-N
MW106.13 g/mol
LogP-1.33
Rot. Bonds

About 1,3-diaminourea;methane

1,3-diaminourea;methane (PubChem CID 159116698) has the molecular formula C2H10N4O and a molecular weight of 106.13 g/mol. Its IUPAC name is 1,3-diaminourea;methane.

Molecular Properties

Compound Name1,3-diaminourea;methane
PubChem CID159116698
Molecular FormulaC2H10N4O
Molecular Weight106.13 g/mol
Exact Mass106.09
IUPAC Name1,3-diaminourea;methane
SMILESC.NNC(=O)NN
InChIInChI=1S/CH6N4O.CH4/c2-4-1(6)5-3;/h2-3H2,(H2,4,5,6);1H4
InChIKeyKFEICJDNSMAPSE-UHFFFAOYSA-N
XLogP-1.33
TPSA93.17 Ų
H-Bond Donors4
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms7
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500106.13
LogP ≤ 5-1.33
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 103

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

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CID 159999921
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Frequently Asked Questions

What is the IUPAC name of 1,3-diaminourea;methane?
The IUPAC name of 1,3-diaminourea;methane (CID 159116698) is 1,3-diaminourea;methane.
What is the SMILES notation for 1,3-diaminourea;methane?
The canonical SMILES for 1,3-diaminourea;methane is C.NNC(=O)NN.
What is the InChIKey of 1,3-diaminourea;methane?
The InChIKey is KFEICJDNSMAPSE-UHFFFAOYSA-N. The full InChI is InChI=1S/CH6N4O.CH4/c2-4-1(6)5-3;/h2-3H2,(H2,4,5,6);1H4.
What are the key properties of 1,3-diaminourea;methane?
1,3-diaminourea;methane has a molecular weight of 106.13 g/mol, XLogP of -1.33, 0 rotatable bonds, 4 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1,3-diaminourea;methane is sourced from PubChem (CID 159116698), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).