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

C16H23N5O2 — CID 153349674

IUPAC1-methyl-2-[[4-[4-(oxan-2-yloxymethyl)triazol-1-yl]phenyl]methyl]hydrazine
SMILESCNNCc1ccc(-n2cc(COC3CCCCO3)nn2)cc1
InChIInChI=1S/C16H23N5O2/c1-17-18-10-13-5-7-15(8-6-13)21-11-14(19-20-21)12-23-16-4-2-3-9-22-16/h5-8,11,16-18H,2-4,9-10,12H2,1H3
InChIKeyRMHQISORIYVBOG-UHFFFAOYSA-N
MW317.39 g/mol
LogP1.53
Rot. Bonds7

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

1-methyl-2-[[4-[4-(oxan-2-yloxymethyl)triazol-1-yl]phenyl]methyl]hydrazine (PubChem CID 153349674) has the molecular formula C16H23N5O2 and a molecular weight of 317.39 g/mol. Its IUPAC name is 1-methyl-2-[[4-[4-(oxan-2-yloxymethyl)triazol-1-yl]phenyl]methyl]hydrazine.

Molecular Properties

Compound Name1-methyl-2-[[4-[4-(oxan-2-yloxymethyl)triazol-1-yl]phenyl]methyl]hydrazine
PubChem CID153349674
Molecular FormulaC16H23N5O2
Molecular Weight317.39 g/mol
Exact Mass317.19
IUPAC Name1-methyl-2-[[4-[4-(oxan-2-yloxymethyl)triazol-1-yl]phenyl]methyl]hydrazine
SMILESCNNCc1ccc(-n2cc(COC3CCCCO3)nn2)cc1
InChIInChI=1S/C16H23N5O2/c1-17-18-10-13-5-7-15(8-6-13)21-11-14(19-20-21)12-23-16-4-2-3-9-22-16/h5-8,11,16-18H,2-4,9-10,12H2,1H3
InChIKeyRMHQISORIYVBOG-UHFFFAOYSA-N
XLogP1.53
TPSA73.23 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500317.39
LogP ≤ 51.53
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 1-methyl-2-[[4-[4-(oxan-2-yloxymethyl)triazol-1-yl]phenyl]methyl]hydrazine?
The IUPAC name of 1-methyl-2-[[4-[4-(oxan-2-yloxymethyl)triazol-1-yl]phenyl]methyl]hydrazine (CID 153349674) is 1-methyl-2-[[4-[4-(oxan-2-yloxymethyl)triazol-1-yl]phenyl]methyl]hydrazine.
What is the SMILES notation for 1-methyl-2-[[4-[4-(oxan-2-yloxymethyl)triazol-1-yl]phenyl]methyl]hydrazine?
The canonical SMILES for 1-methyl-2-[[4-[4-(oxan-2-yloxymethyl)triazol-1-yl]phenyl]methyl]hydrazine is CNNCc1ccc(-n2cc(COC3CCCCO3)nn2)cc1.
What is the InChIKey of 1-methyl-2-[[4-[4-(oxan-2-yloxymethyl)triazol-1-yl]phenyl]methyl]hydrazine?
The InChIKey is RMHQISORIYVBOG-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H23N5O2/c1-17-18-10-13-5-7-15(8-6-13)21-11-14(19-20-21)12-23-16-4-2-3-9-22-16/h5-8,11,16-18H,2-4,9-10,12H2,1H3.
What are the key properties of 1-methyl-2-[[4-[4-(oxan-2-yloxymethyl)triazol-1-yl]phenyl]methyl]hydrazine?
1-methyl-2-[[4-[4-(oxan-2-yloxymethyl)triazol-1-yl]phenyl]methyl]hydrazine has a molecular weight of 317.39 g/mol, XLogP of 1.53, 7 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methyl-2-[[4-[4-(oxan-2-yloxymethyl)triazol-1-yl]phenyl]methyl]hydrazine is sourced from PubChem (CID 153349674), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).