[4-(cyclopropylmethoxy)-6-propoxy-1,3,5-triazin-2-yl]hydrazine

C10H17N5O2 — CID 80912453

IUPAC[4-(cyclopropylmethoxy)-6-propoxy-1,3,5-triazin-2-yl]hydrazine
SMILESCCCOc1nc(NN)nc(OCC2CC2)n1
InChIInChI=1S/C10H17N5O2/c1-2-5-16-9-12-8(15-11)13-10(14-9)17-6-7-3-4-7/h7H,2-6,11H2,1H3,(H,12,13,14,15)
InChIKeyCBOXYKYLHQWUIH-UHFFFAOYSA-N
MW239.28 g/mol
LogP0.73
Rot. Bonds7

About [4-(cyclopropylmethoxy)-6-propoxy-1,3,5-triazin-2-yl]hydrazine

[4-(cyclopropylmethoxy)-6-propoxy-1,3,5-triazin-2-yl]hydrazine (PubChem CID 80912453) has the molecular formula C10H17N5O2 and a molecular weight of 239.28 g/mol. Its IUPAC name is [4-(cyclopropylmethoxy)-6-propoxy-1,3,5-triazin-2-yl]hydrazine.

Molecular Properties

Compound Name[4-(cyclopropylmethoxy)-6-propoxy-1,3,5-triazin-2-yl]hydrazine
PubChem CID80912453
Molecular FormulaC10H17N5O2
Molecular Weight239.28 g/mol
Exact Mass239.14
IUPAC Name[4-(cyclopropylmethoxy)-6-propoxy-1,3,5-triazin-2-yl]hydrazine
SMILESCCCOc1nc(NN)nc(OCC2CC2)n1
InChIInChI=1S/C10H17N5O2/c1-2-5-16-9-12-8(15-11)13-10(14-9)17-6-7-3-4-7/h7H,2-6,11H2,1H3,(H,12,13,14,15)
InChIKeyCBOXYKYLHQWUIH-UHFFFAOYSA-N
XLogP0.73
TPSA95.18 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500239.28
LogP ≤ 50.73
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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 [4-(cyclopropylmethoxy)-6-propoxy-1,3,5-triazin-2-yl]hydrazine?
The IUPAC name of [4-(cyclopropylmethoxy)-6-propoxy-1,3,5-triazin-2-yl]hydrazine (CID 80912453) is [4-(cyclopropylmethoxy)-6-propoxy-1,3,5-triazin-2-yl]hydrazine.
What is the SMILES notation for [4-(cyclopropylmethoxy)-6-propoxy-1,3,5-triazin-2-yl]hydrazine?
The canonical SMILES for [4-(cyclopropylmethoxy)-6-propoxy-1,3,5-triazin-2-yl]hydrazine is CCCOc1nc(NN)nc(OCC2CC2)n1.
What is the InChIKey of [4-(cyclopropylmethoxy)-6-propoxy-1,3,5-triazin-2-yl]hydrazine?
The InChIKey is CBOXYKYLHQWUIH-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H17N5O2/c1-2-5-16-9-12-8(15-11)13-10(14-9)17-6-7-3-4-7/h7H,2-6,11H2,1H3,(H,12,13,14,15).
What are the key properties of [4-(cyclopropylmethoxy)-6-propoxy-1,3,5-triazin-2-yl]hydrazine?
[4-(cyclopropylmethoxy)-6-propoxy-1,3,5-triazin-2-yl]hydrazine has a molecular weight of 239.28 g/mol, XLogP of 0.73, 7 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for [4-(cyclopropylmethoxy)-6-propoxy-1,3,5-triazin-2-yl]hydrazine is sourced from PubChem (CID 80912453), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).