[1-amino-2,2,5-trimethyl-5-(4-methyl-1,2,4-triazol-3-yl)hexylidene]azanium

C12H24N5+ — CID 149032028

IUPAC[1-amino-2,2,5-trimethyl-5-(4-methyl-1,2,4-triazol-3-yl)hexylidene]azanium
SMILESCn1cnnc1C(C)(C)CCC(C)(C)C(N)=[NH2+]
InChIInChI=1S/C12H23N5/c1-11(2,9(13)14)6-7-12(3,4)10-16-15-8-17(10)5/h8H,6-7H2,1-5H3,(H3,13,14)/p+1
InChIKeyQFUSGCAAIFYPRL-UHFFFAOYSA-O
MW238.36 g/mol
LogP0.02
Rot. Bonds5

About [1-amino-2,2,5-trimethyl-5-(4-methyl-1,2,4-triazol-3-yl)hexylidene]azanium

[1-amino-2,2,5-trimethyl-5-(4-methyl-1,2,4-triazol-3-yl)hexylidene]azanium (PubChem CID 149032028) has the molecular formula C12H24N5+ and a molecular weight of 238.36 g/mol. Its IUPAC name is [1-amino-2,2,5-trimethyl-5-(4-methyl-1,2,4-triazol-3-yl)hexylidene]azanium.

Molecular Properties

Compound Name[1-amino-2,2,5-trimethyl-5-(4-methyl-1,2,4-triazol-3-yl)hexylidene]azanium
PubChem CID149032028
Molecular FormulaC12H24N5+
Molecular Weight238.36 g/mol
Exact Mass238.20
IUPAC Name[1-amino-2,2,5-trimethyl-5-(4-methyl-1,2,4-triazol-3-yl)hexylidene]azanium
SMILESCn1cnnc1C(C)(C)CCC(C)(C)C(N)=[NH2+]
InChIInChI=1S/C12H23N5/c1-11(2,9(13)14)6-7-12(3,4)10-16-15-8-17(10)5/h8H,6-7H2,1-5H3,(H3,13,14)/p+1
InChIKeyQFUSGCAAIFYPRL-UHFFFAOYSA-O
XLogP0.02
TPSA82.32 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500238.36
LogP ≤ 50.02
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'imine_2', 'substructure': 'N/A'}

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Related Compounds

4-methyl-4-(4-methyl-4H-1,2,4-triazol-3-yl)piperidine
CID 63124281
2-Fluoro-3,3-dimethyl-2-[(2-methyl-1,2,4-triazol-3-yl)methyl]butan-1-amine
CID 112566469
2-Fluoro-2-[(2-methyl-1,2,4-triazol-3-yl)methyl]pentan-1-amine
CID 112567719
4-Fluoro-2-methyl-4-(4-methyl-1,2,4-triazol-3-yl)butan-2-amine
CID 130758218
3-(4-Fluoroheptan-4-yl)-4-methyl-1,2,4-triazole
CID 177209393
[3-(2-Ethylhexyl)-1,2,4-triazol-1-yl]methanamine
CID 22138173
5-(3,3-dimethylbutyl)-1H-1,2,4-triazole
CID 59380834
5-(2,5,5-trimethylhexan-3-yl)-1H-1,2,4-triazole
CID 68384361
3-(2,2-Dimethylpropyl)-4-propyl-1,2,4-triazole
CID 69381551
3-(2,2-Dimethylpropyl)-4-methyl-1,2,4-triazole
CID 69381637
3-(2,2-Dimethylpropyl)-4-ethyl-1,2,4-triazole
CID 69385060
4-Butyl-3-(2,2-dimethylpropyl)-1,2,4-triazole
CID 69386754

Frequently Asked Questions

What is the IUPAC name of [1-amino-2,2,5-trimethyl-5-(4-methyl-1,2,4-triazol-3-yl)hexylidene]azanium?
The IUPAC name of [1-amino-2,2,5-trimethyl-5-(4-methyl-1,2,4-triazol-3-yl)hexylidene]azanium (CID 149032028) is [1-amino-2,2,5-trimethyl-5-(4-methyl-1,2,4-triazol-3-yl)hexylidene]azanium.
What is the SMILES notation for [1-amino-2,2,5-trimethyl-5-(4-methyl-1,2,4-triazol-3-yl)hexylidene]azanium?
The canonical SMILES for [1-amino-2,2,5-trimethyl-5-(4-methyl-1,2,4-triazol-3-yl)hexylidene]azanium is Cn1cnnc1C(C)(C)CCC(C)(C)C(N)=[NH2+].
What is the InChIKey of [1-amino-2,2,5-trimethyl-5-(4-methyl-1,2,4-triazol-3-yl)hexylidene]azanium?
The InChIKey is QFUSGCAAIFYPRL-UHFFFAOYSA-O. The full InChI is InChI=1S/C12H23N5/c1-11(2,9(13)14)6-7-12(3,4)10-16-15-8-17(10)5/h8H,6-7H2,1-5H3,(H3,13,14)/p+1.
What are the key properties of [1-amino-2,2,5-trimethyl-5-(4-methyl-1,2,4-triazol-3-yl)hexylidene]azanium?
[1-amino-2,2,5-trimethyl-5-(4-methyl-1,2,4-triazol-3-yl)hexylidene]azanium has a molecular weight of 238.36 g/mol, XLogP of 0.02, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [1-amino-2,2,5-trimethyl-5-(4-methyl-1,2,4-triazol-3-yl)hexylidene]azanium is sourced from PubChem (CID 149032028), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).