1-amino-3-[4-(hydrazinecarbonylamino)butyl]urea

C6H16N6O2 — CID 14720988

IUPAC1-amino-3-[4-(hydrazinecarbonylamino)butyl]urea
SMILESNNC(=O)NCCCCNC(=O)NN
InChIInChI=1S/C6H16N6O2/c7-11-5(13)9-3-1-2-4-10-6(14)12-8/h1-4,7-8H2,(H2,9,11,13)(H2,10,12,14)
InChIKeyMSDGLMMPRFEGTA-UHFFFAOYSA-N
MW204.23 g/mol
LogP-1.89
Rot. Bonds5

About 1-amino-3-[4-(hydrazinecarbonylamino)butyl]urea

1-amino-3-[4-(hydrazinecarbonylamino)butyl]urea (PubChem CID 14720988) has the molecular formula C6H16N6O2 and a molecular weight of 204.23 g/mol. Its IUPAC name is 1-amino-3-[4-(hydrazinecarbonylamino)butyl]urea.

Molecular Properties

Compound Name1-amino-3-[4-(hydrazinecarbonylamino)butyl]urea
PubChem CID14720988
Molecular FormulaC6H16N6O2
Molecular Weight204.23 g/mol
Exact Mass204.13
IUPAC Name1-amino-3-[4-(hydrazinecarbonylamino)butyl]urea
SMILESNNC(=O)NCCCCNC(=O)NN
InChIInChI=1S/C6H16N6O2/c7-11-5(13)9-3-1-2-4-10-6(14)12-8/h1-4,7-8H2,(H2,9,11,13)(H2,10,12,14)
InChIKeyMSDGLMMPRFEGTA-UHFFFAOYSA-N
XLogP-1.89
TPSA134.30 Ų
H-Bond Donors6
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms14
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500204.23
LogP ≤ 5-1.89
H-Bond Donors ≤ 56
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'acyl_hydrazine', 'substructure': 'N/A'}, {'alert_name': 'Aliphatic_long_chain', '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-3-[4-(hydrazinecarbonylamino)butyl]urea?
The IUPAC name of 1-amino-3-[4-(hydrazinecarbonylamino)butyl]urea (CID 14720988) is 1-amino-3-[4-(hydrazinecarbonylamino)butyl]urea.
What is the SMILES notation for 1-amino-3-[4-(hydrazinecarbonylamino)butyl]urea?
The canonical SMILES for 1-amino-3-[4-(hydrazinecarbonylamino)butyl]urea is NNC(=O)NCCCCNC(=O)NN.
What is the InChIKey of 1-amino-3-[4-(hydrazinecarbonylamino)butyl]urea?
The InChIKey is MSDGLMMPRFEGTA-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H16N6O2/c7-11-5(13)9-3-1-2-4-10-6(14)12-8/h1-4,7-8H2,(H2,9,11,13)(H2,10,12,14).
What are the key properties of 1-amino-3-[4-(hydrazinecarbonylamino)butyl]urea?
1-amino-3-[4-(hydrazinecarbonylamino)butyl]urea has a molecular weight of 204.23 g/mol, XLogP of -1.89, 5 rotatable bonds, 6 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-amino-3-[4-(hydrazinecarbonylamino)butyl]urea is sourced from PubChem (CID 14720988), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).