2-[(4-hydrazinyl-6-propan-2-yloxy-1,3,5-triazin-2-yl)amino]ethylurea

C9H18N8O2 — CID 83117573

IUPAC2-[(4-hydrazinyl-6-propan-2-yloxy-1,3,5-triazin-2-yl)amino]ethylurea
SMILESCC(C)Oc1nc(NN)nc(NCCNC(N)=O)n1
InChIInChI=1S/C9H18N8O2/c1-5(2)19-9-15-7(14-8(16-9)17-11)13-4-3-12-6(10)18/h5H,3-4,11H2,1-2H3,(H3,10,12,18)(H2,13,14,15,16,17)
InChIKeyRRISJULELNTAAN-UHFFFAOYSA-N
MW270.30 g/mol
LogP-0.98
Rot. Bonds7

About 2-[(4-hydrazinyl-6-propan-2-yloxy-1,3,5-triazin-2-yl)amino]ethylurea

2-[(4-hydrazinyl-6-propan-2-yloxy-1,3,5-triazin-2-yl)amino]ethylurea (PubChem CID 83117573) has the molecular formula C9H18N8O2 and a molecular weight of 270.30 g/mol. Its IUPAC name is 2-[(4-hydrazinyl-6-propan-2-yloxy-1,3,5-triazin-2-yl)amino]ethylurea.

Molecular Properties

Compound Name2-[(4-hydrazinyl-6-propan-2-yloxy-1,3,5-triazin-2-yl)amino]ethylurea
PubChem CID83117573
Molecular FormulaC9H18N8O2
Molecular Weight270.30 g/mol
Exact Mass270.16
IUPAC Name2-[(4-hydrazinyl-6-propan-2-yloxy-1,3,5-triazin-2-yl)amino]ethylurea
SMILESCC(C)Oc1nc(NN)nc(NCCNC(N)=O)n1
InChIInChI=1S/C9H18N8O2/c1-5(2)19-9-15-7(14-8(16-9)17-11)13-4-3-12-6(10)18/h5H,3-4,11H2,1-2H3,(H3,10,12,18)(H2,13,14,15,16,17)
InChIKeyRRISJULELNTAAN-UHFFFAOYSA-N
XLogP-0.98
TPSA153.10 Ų
H-Bond Donors5
H-Bond Acceptors8
Rotatable Bonds7
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500270.30
LogP ≤ 5-0.98
H-Bond Donors ≤ 55
H-Bond Acceptors ≤ 108

Computed Properties (RDKit)

Structural Alerts{'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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Launch Full Analysis

Related Compounds

3-[(4-hydrazinyl-6-propan-2-yloxy-1,3,5-triazin-2-yl)amino]propanamide
CID 80905968
N-ethyl-2-[(4-hydrazinyl-6-propan-2-yloxy-1,3,5-triazin-2-yl)amino]acetamide
CID 80906622
4-hydrazinyl-N-(2-methoxyethyl)-6-propan-2-yloxy-1,3,5-triazin-2-amine
CID 80931989
1-[(4-hydrazinyl-6-propan-2-yloxy-1,3,5-triazin-2-yl)amino]-2-methylpropan-2-ol
CID 80915056
N',N'-diethyl-N-(4-hydrazinyl-6-propan-2-yloxy-1,3,5-triazin-2-yl)ethane-1,2-diamine
CID 80932481
N',N'-diethyl-N-(4-hydrazinyl-6-propan-2-yloxy-1,3,5-triazin-2-yl)propane-1,3-diamine
CID 80938206
methyl 2-[[4-propan-2-yloxy-6-(propylamino)-1,3,5-triazin-2-yl]amino]propanoate
CID 80783468
4-hydrazinyl-6-propan-2-yloxy-N-(2,2,2-trifluoroethyl)-1,3,5-triazin-2-amine
CID 80944783
ethyl 2-[(4-hydrazinyl-6-propan-2-yloxy-1,3,5-triazin-2-yl)amino]propanoate
CID 80897794
2-hydroxy-3-[[4-propan-2-yloxy-6-(propylamino)-1,3,5-triazin-2-yl]amino]propanamide
CID 106178974
2-methyl-2-[[4-propan-2-yloxy-6-(propylamino)-1,3,5-triazin-2-yl]amino]propanamide
CID 80794931
(2S)-2-[(4-hydrazinyl-6-propan-2-yloxy-1,3,5-triazin-2-yl)amino]-3-methylbutan-1-ol
CID 80922548

Frequently Asked Questions

What is the IUPAC name of 2-[(4-hydrazinyl-6-propan-2-yloxy-1,3,5-triazin-2-yl)amino]ethylurea?
The IUPAC name of 2-[(4-hydrazinyl-6-propan-2-yloxy-1,3,5-triazin-2-yl)amino]ethylurea (CID 83117573) is 2-[(4-hydrazinyl-6-propan-2-yloxy-1,3,5-triazin-2-yl)amino]ethylurea.
What is the SMILES notation for 2-[(4-hydrazinyl-6-propan-2-yloxy-1,3,5-triazin-2-yl)amino]ethylurea?
The canonical SMILES for 2-[(4-hydrazinyl-6-propan-2-yloxy-1,3,5-triazin-2-yl)amino]ethylurea is CC(C)Oc1nc(NN)nc(NCCNC(N)=O)n1.
What is the InChIKey of 2-[(4-hydrazinyl-6-propan-2-yloxy-1,3,5-triazin-2-yl)amino]ethylurea?
The InChIKey is RRISJULELNTAAN-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H18N8O2/c1-5(2)19-9-15-7(14-8(16-9)17-11)13-4-3-12-6(10)18/h5H,3-4,11H2,1-2H3,(H3,10,12,18)(H2,13,14,15,16,17).
What are the key properties of 2-[(4-hydrazinyl-6-propan-2-yloxy-1,3,5-triazin-2-yl)amino]ethylurea?
2-[(4-hydrazinyl-6-propan-2-yloxy-1,3,5-triazin-2-yl)amino]ethylurea has a molecular weight of 270.30 g/mol, XLogP of -0.98, 7 rotatable bonds, 5 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(4-hydrazinyl-6-propan-2-yloxy-1,3,5-triazin-2-yl)amino]ethylurea is sourced from PubChem (CID 83117573), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).