[4-(3,3-dimethylbutoxy)-6-propan-2-yloxy-1,3,5-triazin-2-yl]hydrazine

C12H23N5O2 — CID 80923879

IUPAC[4-(3,3-dimethylbutoxy)-6-propan-2-yloxy-1,3,5-triazin-2-yl]hydrazine
SMILESCC(C)Oc1nc(NN)nc(OCCC(C)(C)C)n1
InChIInChI=1S/C12H23N5O2/c1-8(2)19-11-15-9(17-13)14-10(16-11)18-7-6-12(3,4)5/h8H,6-7,13H2,1-5H3,(H,14,15,16,17)
InChIKeyYNBATJDQVPPVSO-UHFFFAOYSA-N
MW269.35 g/mol
LogP1.76
Rot. Bonds6

About [4-(3,3-dimethylbutoxy)-6-propan-2-yloxy-1,3,5-triazin-2-yl]hydrazine

[4-(3,3-dimethylbutoxy)-6-propan-2-yloxy-1,3,5-triazin-2-yl]hydrazine (PubChem CID 80923879) has the molecular formula C12H23N5O2 and a molecular weight of 269.35 g/mol. Its IUPAC name is [4-(3,3-dimethylbutoxy)-6-propan-2-yloxy-1,3,5-triazin-2-yl]hydrazine.

Molecular Properties

Compound Name[4-(3,3-dimethylbutoxy)-6-propan-2-yloxy-1,3,5-triazin-2-yl]hydrazine
PubChem CID80923879
Molecular FormulaC12H23N5O2
Molecular Weight269.35 g/mol
Exact Mass269.19
IUPAC Name[4-(3,3-dimethylbutoxy)-6-propan-2-yloxy-1,3,5-triazin-2-yl]hydrazine
SMILESCC(C)Oc1nc(NN)nc(OCCC(C)(C)C)n1
InChIInChI=1S/C12H23N5O2/c1-8(2)19-11-15-9(17-13)14-10(16-11)18-7-6-12(3,4)5/h8H,6-7,13H2,1-5H3,(H,14,15,16,17)
InChIKeyYNBATJDQVPPVSO-UHFFFAOYSA-N
XLogP1.76
TPSA95.18 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500269.35
LogP ≤ 51.76
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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Related Compounds

[4-[2-(2-methylpropoxy)ethoxy]-6-propan-2-yloxy-1,3,5-triazin-2-yl]hydrazine
CID 106451582
[4-(2,2-difluoroethoxy)-6-propan-2-yloxy-1,3,5-triazin-2-yl]hydrazine
CID 82010438
4-hydrazinyl-6-propan-2-yloxy-N-(2,2,2-trifluoroethyl)-1,3,5-triazin-2-amine
CID 80944783
1-[(4-hydrazinyl-6-propan-2-yloxy-1,3,5-triazin-2-yl)amino]-2-methylpropan-2-ol
CID 80915056
[4-propoxy-6-(1,1,1-trifluoropropan-2-yloxy)-1,3,5-triazin-2-yl]hydrazine
CID 80923867
N-tert-butyl-4-hydrazinyl-6-propan-2-yloxy-1,3,5-triazin-2-amine
CID 80920133
4-hydrazinyl-N-(2-methoxyethyl)-6-propan-2-yloxy-1,3,5-triazin-2-amine
CID 80931989
[4-(3,3-dimethylbutoxy)-6-piperidin-1-yl-1,3,5-triazin-2-yl]hydrazine
CID 80923939
(4-tert-butylsulfanyl-6-propan-2-yloxy-1,3,5-triazin-2-yl)hydrazine
CID 80925733
4-(3-methoxy-3-methylbutoxy)-6-propan-2-yloxy-1,3,5-triazin-2-amine
CID 106669229
N-methyl-4-[2-[(2-methylpropan-2-yl)oxy]ethoxy]-6-propan-2-yloxy-1,3,5-triazin-2-amine
CID 115943139
N'-(4-hydrazinyl-6-propan-2-yloxy-1,3,5-triazin-2-yl)-N,N,2,2-tetramethylpropane-1,3-diamine
CID 80911884

Frequently Asked Questions

What is the IUPAC name of [4-(3,3-dimethylbutoxy)-6-propan-2-yloxy-1,3,5-triazin-2-yl]hydrazine?
The IUPAC name of [4-(3,3-dimethylbutoxy)-6-propan-2-yloxy-1,3,5-triazin-2-yl]hydrazine (CID 80923879) is [4-(3,3-dimethylbutoxy)-6-propan-2-yloxy-1,3,5-triazin-2-yl]hydrazine.
What is the SMILES notation for [4-(3,3-dimethylbutoxy)-6-propan-2-yloxy-1,3,5-triazin-2-yl]hydrazine?
The canonical SMILES for [4-(3,3-dimethylbutoxy)-6-propan-2-yloxy-1,3,5-triazin-2-yl]hydrazine is CC(C)Oc1nc(NN)nc(OCCC(C)(C)C)n1.
What is the InChIKey of [4-(3,3-dimethylbutoxy)-6-propan-2-yloxy-1,3,5-triazin-2-yl]hydrazine?
The InChIKey is YNBATJDQVPPVSO-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H23N5O2/c1-8(2)19-11-15-9(17-13)14-10(16-11)18-7-6-12(3,4)5/h8H,6-7,13H2,1-5H3,(H,14,15,16,17).
What are the key properties of [4-(3,3-dimethylbutoxy)-6-propan-2-yloxy-1,3,5-triazin-2-yl]hydrazine?
[4-(3,3-dimethylbutoxy)-6-propan-2-yloxy-1,3,5-triazin-2-yl]hydrazine has a molecular weight of 269.35 g/mol, XLogP of 1.76, 6 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for [4-(3,3-dimethylbutoxy)-6-propan-2-yloxy-1,3,5-triazin-2-yl]hydrazine is sourced from PubChem (CID 80923879), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).