1-[amino-(methylcarbamoylamino)amino]-3-methylurea

C4H12N6O2 — CID 150752032

IUPAC1-[amino-(methylcarbamoylamino)amino]-3-methylurea
SMILESCNC(=O)NN(N)NC(=O)NC
InChIInChI=1S/C4H12N6O2/c1-6-3(11)8-10(5)9-4(12)7-2/h5H2,1-2H3,(H2,6,8,11)(H2,7,9,12)
InChIKeyJWBMJDGQJLQPSB-UHFFFAOYSA-N
MW176.18 g/mol
LogP-2.15
Rot. Bonds2

About 1-[amino-(methylcarbamoylamino)amino]-3-methylurea

1-[amino-(methylcarbamoylamino)amino]-3-methylurea (PubChem CID 150752032) has the molecular formula C4H12N6O2 and a molecular weight of 176.18 g/mol. Its IUPAC name is 1-[amino-(methylcarbamoylamino)amino]-3-methylurea.

Molecular Properties

Compound Name1-[amino-(methylcarbamoylamino)amino]-3-methylurea
PubChem CID150752032
Molecular FormulaC4H12N6O2
Molecular Weight176.18 g/mol
Exact Mass176.10
IUPAC Name1-[amino-(methylcarbamoylamino)amino]-3-methylurea
SMILESCNC(=O)NN(N)NC(=O)NC
InChIInChI=1S/C4H12N6O2/c1-6-3(11)8-10(5)9-4(12)7-2/h5H2,1-2H3,(H2,6,8,11)(H2,7,9,12)
InChIKeyJWBMJDGQJLQPSB-UHFFFAOYSA-N
XLogP-2.15
TPSA111.52 Ų
H-Bond Donors5
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500176.18
LogP ≤ 5-2.15
H-Bond Donors ≤ 55
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'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 1-[amino-(methylcarbamoylamino)amino]-3-methylurea?
The IUPAC name of 1-[amino-(methylcarbamoylamino)amino]-3-methylurea (CID 150752032) is 1-[amino-(methylcarbamoylamino)amino]-3-methylurea.
What is the SMILES notation for 1-[amino-(methylcarbamoylamino)amino]-3-methylurea?
The canonical SMILES for 1-[amino-(methylcarbamoylamino)amino]-3-methylurea is CNC(=O)NN(N)NC(=O)NC.
What is the InChIKey of 1-[amino-(methylcarbamoylamino)amino]-3-methylurea?
The InChIKey is JWBMJDGQJLQPSB-UHFFFAOYSA-N. The full InChI is InChI=1S/C4H12N6O2/c1-6-3(11)8-10(5)9-4(12)7-2/h5H2,1-2H3,(H2,6,8,11)(H2,7,9,12).
What are the key properties of 1-[amino-(methylcarbamoylamino)amino]-3-methylurea?
1-[amino-(methylcarbamoylamino)amino]-3-methylurea has a molecular weight of 176.18 g/mol, XLogP of -2.15, 2 rotatable bonds, 5 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[amino-(methylcarbamoylamino)amino]-3-methylurea is sourced from PubChem (CID 150752032), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).