1-amino-1-[3-[amino(carbamoyl)amino]-2-ethylphenyl]urea

C10H16N6O2 — CID 174278536

IUPAC1-amino-1-[3-[amino(carbamoyl)amino]-2-ethylphenyl]urea
SMILESCCc1c(N(N)C(N)=O)cccc1N(N)C(N)=O
InChIInChI=1S/C10H16N6O2/c1-2-6-7(15(13)9(11)17)4-3-5-8(6)16(14)10(12)18/h3-5H,2,13-14H2,1H3,(H2,11,17)(H2,12,18)
InChIKeySGJRTJDVMFMETM-UHFFFAOYSA-N
MW252.28 g/mol
LogP-0.23
Rot. Bonds3

About 1-amino-1-[3-[amino(carbamoyl)amino]-2-ethylphenyl]urea

1-amino-1-[3-[amino(carbamoyl)amino]-2-ethylphenyl]urea (PubChem CID 174278536) has the molecular formula C10H16N6O2 and a molecular weight of 252.28 g/mol. Its IUPAC name is 1-amino-1-[3-[amino(carbamoyl)amino]-2-ethylphenyl]urea.

Molecular Properties

Compound Name1-amino-1-[3-[amino(carbamoyl)amino]-2-ethylphenyl]urea
PubChem CID174278536
Molecular FormulaC10H16N6O2
Molecular Weight252.28 g/mol
Exact Mass252.13
IUPAC Name1-amino-1-[3-[amino(carbamoyl)amino]-2-ethylphenyl]urea
SMILESCCc1c(N(N)C(N)=O)cccc1N(N)C(N)=O
InChIInChI=1S/C10H16N6O2/c1-2-6-7(15(13)9(11)17)4-3-5-8(6)16(14)10(12)18/h3-5H,2,13-14H2,1H3,(H2,11,17)(H2,12,18)
InChIKeySGJRTJDVMFMETM-UHFFFAOYSA-N
XLogP-0.23
TPSA144.70 Ų
H-Bond Donors4
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500252.28
LogP ≤ 5-0.23
H-Bond Donors ≤ 54
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 1-amino-1-[3-[amino(carbamoyl)amino]-2-ethylphenyl]urea?
The IUPAC name of 1-amino-1-[3-[amino(carbamoyl)amino]-2-ethylphenyl]urea (CID 174278536) is 1-amino-1-[3-[amino(carbamoyl)amino]-2-ethylphenyl]urea.
What is the SMILES notation for 1-amino-1-[3-[amino(carbamoyl)amino]-2-ethylphenyl]urea?
The canonical SMILES for 1-amino-1-[3-[amino(carbamoyl)amino]-2-ethylphenyl]urea is CCc1c(N(N)C(N)=O)cccc1N(N)C(N)=O.
What is the InChIKey of 1-amino-1-[3-[amino(carbamoyl)amino]-2-ethylphenyl]urea?
The InChIKey is SGJRTJDVMFMETM-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H16N6O2/c1-2-6-7(15(13)9(11)17)4-3-5-8(6)16(14)10(12)18/h3-5H,2,13-14H2,1H3,(H2,11,17)(H2,12,18).
What are the key properties of 1-amino-1-[3-[amino(carbamoyl)amino]-2-ethylphenyl]urea?
1-amino-1-[3-[amino(carbamoyl)amino]-2-ethylphenyl]urea has a molecular weight of 252.28 g/mol, XLogP of -0.23, 3 rotatable bonds, 4 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-amino-1-[3-[amino(carbamoyl)amino]-2-ethylphenyl]urea is sourced from PubChem (CID 174278536), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).