[4-(2-methoxyethyl)-5-(2,4,4-trimethylpentyl)-1,2,4-triazol-3-yl]methanamine

C14H28N4O — CID 112592807

IUPAC[4-(2-methoxyethyl)-5-(2,4,4-trimethylpentyl)-1,2,4-triazol-3-yl]methanamine
SMILESCOCCn1c(CN)nnc1CC(C)CC(C)(C)C
InChIInChI=1S/C14H28N4O/c1-11(9-14(2,3)4)8-12-16-17-13(10-15)18(12)6-7-19-5/h11H,6-10,15H2,1-5H3
InChIKeyVLWQZZJJSKKYLL-UHFFFAOYSA-N
MW268.40 g/mol
LogP2.00
Rot. Bonds7

About [4-(2-methoxyethyl)-5-(2,4,4-trimethylpentyl)-1,2,4-triazol-3-yl]methanamine

[4-(2-methoxyethyl)-5-(2,4,4-trimethylpentyl)-1,2,4-triazol-3-yl]methanamine (PubChem CID 112592807) has the molecular formula C14H28N4O and a molecular weight of 268.40 g/mol. Its IUPAC name is [4-(2-methoxyethyl)-5-(2,4,4-trimethylpentyl)-1,2,4-triazol-3-yl]methanamine.

Molecular Properties

Compound Name[4-(2-methoxyethyl)-5-(2,4,4-trimethylpentyl)-1,2,4-triazol-3-yl]methanamine
PubChem CID112592807
Molecular FormulaC14H28N4O
Molecular Weight268.40 g/mol
Exact Mass268.23
IUPAC Name[4-(2-methoxyethyl)-5-(2,4,4-trimethylpentyl)-1,2,4-triazol-3-yl]methanamine
SMILESCOCCn1c(CN)nnc1CC(C)CC(C)(C)C
InChIInChI=1S/C14H28N4O/c1-11(9-14(2,3)4)8-12-16-17-13(10-15)18(12)6-7-19-5/h11H,6-10,15H2,1-5H3
InChIKeyVLWQZZJJSKKYLL-UHFFFAOYSA-N
XLogP2.00
TPSA65.96 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500268.40
LogP ≤ 52.00
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of [4-(2-methoxyethyl)-5-(2,4,4-trimethylpentyl)-1,2,4-triazol-3-yl]methanamine?
The IUPAC name of [4-(2-methoxyethyl)-5-(2,4,4-trimethylpentyl)-1,2,4-triazol-3-yl]methanamine (CID 112592807) is [4-(2-methoxyethyl)-5-(2,4,4-trimethylpentyl)-1,2,4-triazol-3-yl]methanamine.
What is the SMILES notation for [4-(2-methoxyethyl)-5-(2,4,4-trimethylpentyl)-1,2,4-triazol-3-yl]methanamine?
The canonical SMILES for [4-(2-methoxyethyl)-5-(2,4,4-trimethylpentyl)-1,2,4-triazol-3-yl]methanamine is COCCn1c(CN)nnc1CC(C)CC(C)(C)C.
What is the InChIKey of [4-(2-methoxyethyl)-5-(2,4,4-trimethylpentyl)-1,2,4-triazol-3-yl]methanamine?
The InChIKey is VLWQZZJJSKKYLL-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H28N4O/c1-11(9-14(2,3)4)8-12-16-17-13(10-15)18(12)6-7-19-5/h11H,6-10,15H2,1-5H3.
What are the key properties of [4-(2-methoxyethyl)-5-(2,4,4-trimethylpentyl)-1,2,4-triazol-3-yl]methanamine?
[4-(2-methoxyethyl)-5-(2,4,4-trimethylpentyl)-1,2,4-triazol-3-yl]methanamine has a molecular weight of 268.40 g/mol, XLogP of 2.00, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [4-(2-methoxyethyl)-5-(2,4,4-trimethylpentyl)-1,2,4-triazol-3-yl]methanamine is sourced from PubChem (CID 112592807), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).