4-methoxy-4-methyl-N-(1H-1,2,4-triazol-5-ylmethyl)pentan-2-amine

C10H20N4O — CID 60978743

IUPAC4-methoxy-4-methyl-N-(1H-1,2,4-triazol-5-ylmethyl)pentan-2-amine
SMILESCOC(C)(C)CC(C)NCc1ncn[nH]1
InChIInChI=1S/C10H20N4O/c1-8(5-10(2,3)15-4)11-6-9-12-7-13-14-9/h7-8,11H,5-6H2,1-4H3,(H,12,13,14)
InChIKeyHQUFJGQLYHIOMN-UHFFFAOYSA-N
MW212.30 g/mol
LogP1.10
Rot. Bonds6

About 4-methoxy-4-methyl-N-(1H-1,2,4-triazol-5-ylmethyl)pentan-2-amine

4-methoxy-4-methyl-N-(1H-1,2,4-triazol-5-ylmethyl)pentan-2-amine (PubChem CID 60978743) has the molecular formula C10H20N4O and a molecular weight of 212.30 g/mol. Its IUPAC name is 4-methoxy-4-methyl-N-(1H-1,2,4-triazol-5-ylmethyl)pentan-2-amine.

Molecular Properties

Compound Name4-methoxy-4-methyl-N-(1H-1,2,4-triazol-5-ylmethyl)pentan-2-amine
PubChem CID60978743
Molecular FormulaC10H20N4O
Molecular Weight212.30 g/mol
Exact Mass212.16
IUPAC Name4-methoxy-4-methyl-N-(1H-1,2,4-triazol-5-ylmethyl)pentan-2-amine
SMILESCOC(C)(C)CC(C)NCc1ncn[nH]1
InChIInChI=1S/C10H20N4O/c1-8(5-10(2,3)15-4)11-6-9-12-7-13-14-9/h7-8,11H,5-6H2,1-4H3,(H,12,13,14)
InChIKeyHQUFJGQLYHIOMN-UHFFFAOYSA-N
XLogP1.10
TPSA62.83 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500212.30
LogP ≤ 51.10
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 4-methoxy-4-methyl-N-(1H-1,2,4-triazol-5-ylmethyl)pentan-2-amine?
The IUPAC name of 4-methoxy-4-methyl-N-(1H-1,2,4-triazol-5-ylmethyl)pentan-2-amine (CID 60978743) is 4-methoxy-4-methyl-N-(1H-1,2,4-triazol-5-ylmethyl)pentan-2-amine.
What is the SMILES notation for 4-methoxy-4-methyl-N-(1H-1,2,4-triazol-5-ylmethyl)pentan-2-amine?
The canonical SMILES for 4-methoxy-4-methyl-N-(1H-1,2,4-triazol-5-ylmethyl)pentan-2-amine is COC(C)(C)CC(C)NCc1ncn[nH]1.
What is the InChIKey of 4-methoxy-4-methyl-N-(1H-1,2,4-triazol-5-ylmethyl)pentan-2-amine?
The InChIKey is HQUFJGQLYHIOMN-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H20N4O/c1-8(5-10(2,3)15-4)11-6-9-12-7-13-14-9/h7-8,11H,5-6H2,1-4H3,(H,12,13,14).
What are the key properties of 4-methoxy-4-methyl-N-(1H-1,2,4-triazol-5-ylmethyl)pentan-2-amine?
4-methoxy-4-methyl-N-(1H-1,2,4-triazol-5-ylmethyl)pentan-2-amine has a molecular weight of 212.30 g/mol, XLogP of 1.10, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methoxy-4-methyl-N-(1H-1,2,4-triazol-5-ylmethyl)pentan-2-amine is sourced from PubChem (CID 60978743), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).