1-ethyl-2-[[4-[4-(oxan-2-yloxymethyl)triazol-1-yl]phenyl]methyl]hydrazine

C17H25N5O2 — CID 170704885

IUPAC1-ethyl-2-[[4-[4-(oxan-2-yloxymethyl)triazol-1-yl]phenyl]methyl]hydrazine
SMILESCCNNCc1ccc(-n2cc(COC3CCCCO3)nn2)cc1
InChIInChI=1S/C17H25N5O2/c1-2-18-19-11-14-6-8-16(9-7-14)22-12-15(20-21-22)13-24-17-5-3-4-10-23-17/h6-9,12,17-19H,2-5,10-11,13H2,1H3
InChIKeyWGQPUUWXHSHQEL-UHFFFAOYSA-N
MW331.42 g/mol
LogP1.92
Rot. Bonds8

About 1-ethyl-2-[[4-[4-(oxan-2-yloxymethyl)triazol-1-yl]phenyl]methyl]hydrazine

1-ethyl-2-[[4-[4-(oxan-2-yloxymethyl)triazol-1-yl]phenyl]methyl]hydrazine (PubChem CID 170704885) has the molecular formula C17H25N5O2 and a molecular weight of 331.42 g/mol. Its IUPAC name is 1-ethyl-2-[[4-[4-(oxan-2-yloxymethyl)triazol-1-yl]phenyl]methyl]hydrazine.

Molecular Properties

Compound Name1-ethyl-2-[[4-[4-(oxan-2-yloxymethyl)triazol-1-yl]phenyl]methyl]hydrazine
PubChem CID170704885
Molecular FormulaC17H25N5O2
Molecular Weight331.42 g/mol
Exact Mass331.20
IUPAC Name1-ethyl-2-[[4-[4-(oxan-2-yloxymethyl)triazol-1-yl]phenyl]methyl]hydrazine
SMILESCCNNCc1ccc(-n2cc(COC3CCCCO3)nn2)cc1
InChIInChI=1S/C17H25N5O2/c1-2-18-19-11-14-6-8-16(9-7-14)22-12-15(20-21-22)13-24-17-5-3-4-10-23-17/h6-9,12,17-19H,2-5,10-11,13H2,1H3
InChIKeyWGQPUUWXHSHQEL-UHFFFAOYSA-N
XLogP1.92
TPSA73.23 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds8
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500331.42
LogP ≤ 51.92
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', '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-ethyl-2-[[4-[4-(oxan-2-yloxymethyl)triazol-1-yl]phenyl]methyl]hydrazine?
The IUPAC name of 1-ethyl-2-[[4-[4-(oxan-2-yloxymethyl)triazol-1-yl]phenyl]methyl]hydrazine (CID 170704885) is 1-ethyl-2-[[4-[4-(oxan-2-yloxymethyl)triazol-1-yl]phenyl]methyl]hydrazine.
What is the SMILES notation for 1-ethyl-2-[[4-[4-(oxan-2-yloxymethyl)triazol-1-yl]phenyl]methyl]hydrazine?
The canonical SMILES for 1-ethyl-2-[[4-[4-(oxan-2-yloxymethyl)triazol-1-yl]phenyl]methyl]hydrazine is CCNNCc1ccc(-n2cc(COC3CCCCO3)nn2)cc1.
What is the InChIKey of 1-ethyl-2-[[4-[4-(oxan-2-yloxymethyl)triazol-1-yl]phenyl]methyl]hydrazine?
The InChIKey is WGQPUUWXHSHQEL-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H25N5O2/c1-2-18-19-11-14-6-8-16(9-7-14)22-12-15(20-21-22)13-24-17-5-3-4-10-23-17/h6-9,12,17-19H,2-5,10-11,13H2,1H3.
What are the key properties of 1-ethyl-2-[[4-[4-(oxan-2-yloxymethyl)triazol-1-yl]phenyl]methyl]hydrazine?
1-ethyl-2-[[4-[4-(oxan-2-yloxymethyl)triazol-1-yl]phenyl]methyl]hydrazine has a molecular weight of 331.42 g/mol, XLogP of 1.92, 8 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 1-ethyl-2-[[4-[4-(oxan-2-yloxymethyl)triazol-1-yl]phenyl]methyl]hydrazine is sourced from PubChem (CID 170704885), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).