(4-but-3-ynoxy-6-ethoxy-1,3,5-triazin-2-yl)hydrazine

C9H13N5O2 — CID 106795726

IUPAC(4-but-3-ynoxy-6-ethoxy-1,3,5-triazin-2-yl)hydrazine
SMILESC#CCCOc1nc(NN)nc(OCC)n1
InChIInChI=1S/C9H13N5O2/c1-3-5-6-16-9-12-7(14-10)11-8(13-9)15-4-2/h1H,4-6,10H2,2H3,(H,11,12,13,14)
InChIKeyDISXZWGQQHKVSP-UHFFFAOYSA-N
MW223.24 g/mol
LogP-0.04
Rot. Bonds6

About (4-but-3-ynoxy-6-ethoxy-1,3,5-triazin-2-yl)hydrazine

(4-but-3-ynoxy-6-ethoxy-1,3,5-triazin-2-yl)hydrazine (PubChem CID 106795726) has the molecular formula C9H13N5O2 and a molecular weight of 223.24 g/mol. Its IUPAC name is (4-but-3-ynoxy-6-ethoxy-1,3,5-triazin-2-yl)hydrazine.

Molecular Properties

Compound Name(4-but-3-ynoxy-6-ethoxy-1,3,5-triazin-2-yl)hydrazine
PubChem CID106795726
Molecular FormulaC9H13N5O2
Molecular Weight223.24 g/mol
Exact Mass223.11
IUPAC Name(4-but-3-ynoxy-6-ethoxy-1,3,5-triazin-2-yl)hydrazine
SMILESC#CCCOc1nc(NN)nc(OCC)n1
InChIInChI=1S/C9H13N5O2/c1-3-5-6-16-9-12-7(14-10)11-8(13-9)15-4-2/h1H,4-6,10H2,2H3,(H,11,12,13,14)
InChIKeyDISXZWGQQHKVSP-UHFFFAOYSA-N
XLogP-0.04
TPSA95.18 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500223.24
LogP ≤ 5-0.04
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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'}, {'alert_name': 'triple_bond', 'substructure': 'N/A'}

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Related Compounds

(4-ethoxy-6-prop-2-ynoxy-1,3,5-triazin-2-yl)hydrazine
CID 80913971
4-but-3-ynoxy-6-propoxy-1,3,5-triazin-2-amine
CID 106795654
N-(2,2-dimethylpropyl)-4-ethoxy-6-hydrazinyl-1,3,5-triazin-2-amine
CID 80898695
N-(2,2-dimethylbutyl)-4-ethoxy-6-hydrazinyl-1,3,5-triazin-2-amine
CID 103466753
4-ethoxy-N-(2-ethoxy-2-methylpropyl)-6-hydrazinyl-1,3,5-triazin-2-amine
CID 114944805
4-ethoxy-6-hydrazinyl-N-(3-methylbutan-2-yl)-1,3,5-triazin-2-amine
CID 80917208
4-ethoxy-6-hydrazinyl-N-(1-methoxy-3-methylbutan-2-yl)-1,3,5-triazin-2-amine
CID 80915837
1-N-(4-ethoxy-6-hydrazinyl-1,3,5-triazin-2-yl)-2-N,2-N,2-trimethylpropane-1,2-diamine
CID 80902362
[4-(3-methylbutoxy)-6-propoxy-1,3,5-triazin-2-yl]hydrazine
CID 80909820
[4-(2-propan-2-yloxyethoxy)-6-propoxy-1,3,5-triazin-2-yl]hydrazine
CID 80911471
[4-propoxy-6-(3,3,3-trifluoropropoxy)-1,3,5-triazin-2-yl]hydrazine
CID 82958871
4-ethoxy-6-hydrazinyl-N-(2,2,3,3-tetrafluoropropyl)-1,3,5-triazin-2-amine
CID 106294470

Frequently Asked Questions

What is the IUPAC name of (4-but-3-ynoxy-6-ethoxy-1,3,5-triazin-2-yl)hydrazine?
The IUPAC name of (4-but-3-ynoxy-6-ethoxy-1,3,5-triazin-2-yl)hydrazine (CID 106795726) is (4-but-3-ynoxy-6-ethoxy-1,3,5-triazin-2-yl)hydrazine.
What is the SMILES notation for (4-but-3-ynoxy-6-ethoxy-1,3,5-triazin-2-yl)hydrazine?
The canonical SMILES for (4-but-3-ynoxy-6-ethoxy-1,3,5-triazin-2-yl)hydrazine is C#CCCOc1nc(NN)nc(OCC)n1.
What is the InChIKey of (4-but-3-ynoxy-6-ethoxy-1,3,5-triazin-2-yl)hydrazine?
The InChIKey is DISXZWGQQHKVSP-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H13N5O2/c1-3-5-6-16-9-12-7(14-10)11-8(13-9)15-4-2/h1H,4-6,10H2,2H3,(H,11,12,13,14).
What are the key properties of (4-but-3-ynoxy-6-ethoxy-1,3,5-triazin-2-yl)hydrazine?
(4-but-3-ynoxy-6-ethoxy-1,3,5-triazin-2-yl)hydrazine has a molecular weight of 223.24 g/mol, XLogP of -0.04, 6 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for (4-but-3-ynoxy-6-ethoxy-1,3,5-triazin-2-yl)hydrazine is sourced from PubChem (CID 106795726), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).