[5-methoxy-4-(2-methylpropyl)-1,2,4-triazol-3-yl]methanamine

C8H16N4O — CID 83876417

IUPAC[5-methoxy-4-(2-methylpropyl)-1,2,4-triazol-3-yl]methanamine
SMILESCOc1nnc(CN)n1CC(C)C
InChIInChI=1S/C8H16N4O/c1-6(2)5-12-7(4-9)10-11-8(12)13-3/h6H,4-5,9H2,1-3H3
InChIKeyFWWZPNMINXHFLW-UHFFFAOYSA-N
MW184.24 g/mol
LogP0.40
Rot. Bonds4

About [5-methoxy-4-(2-methylpropyl)-1,2,4-triazol-3-yl]methanamine

[5-methoxy-4-(2-methylpropyl)-1,2,4-triazol-3-yl]methanamine (PubChem CID 83876417) has the molecular formula C8H16N4O and a molecular weight of 184.24 g/mol. Its IUPAC name is [5-methoxy-4-(2-methylpropyl)-1,2,4-triazol-3-yl]methanamine.

Molecular Properties

Compound Name[5-methoxy-4-(2-methylpropyl)-1,2,4-triazol-3-yl]methanamine
PubChem CID83876417
Molecular FormulaC8H16N4O
Molecular Weight184.24 g/mol
Exact Mass184.13
IUPAC Name[5-methoxy-4-(2-methylpropyl)-1,2,4-triazol-3-yl]methanamine
SMILESCOc1nnc(CN)n1CC(C)C
InChIInChI=1S/C8H16N4O/c1-6(2)5-12-7(4-9)10-11-8(12)13-3/h6H,4-5,9H2,1-3H3
InChIKeyFWWZPNMINXHFLW-UHFFFAOYSA-N
XLogP0.40
TPSA65.96 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500184.24
LogP ≤ 50.40
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze [5-methoxy-4-(2-methylpropyl)-1,2,4-triazol-3-yl]methanamine with MolForge

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Related Compounds

[4-(2-methylpropyl)-5-pentyl-1,2,4-triazol-3-yl]methanamine
CID 112594055
[5-[(2-methylpropan-2-yl)oxymethyl]-4-(2-methylpropyl)-1,2,4-triazol-3-yl]methanamine
CID 112606036
[5-cyclopropyl-4-(2-methylpropyl)-1,2,4-triazol-3-yl]methanamine
CID 112594183
[5-(3-ethoxypropyl)-4-(2-methylpropyl)-1,2,4-triazol-3-yl]methanamine
CID 112594107
[5-(2-fluoro-4-methoxyphenyl)-4-(2-methylpropyl)-1,2,4-triazol-3-yl]methanamine
CID 102885893
[5-(3,5-dimethylphenyl)-4-(2-methylpropyl)-1,2,4-triazol-3-yl]methanamine
CID 112594135
[5-[(4-chlorophenyl)methyl]-4-(2-methylpropyl)-1,2,4-triazol-3-yl]methanamine
CID 112594081
[5-[(2-methylphenyl)methyl]-4-(2-methylpropyl)-1,2,4-triazol-3-yl]methanamine
CID 112594120
[5-(1-adamantyl)-4-(2-methylpropyl)-1,2,4-triazol-3-yl]methanamine
CID 115944210
[5-methoxy-1-(2-methylpropyl)benzimidazol-2-yl]methanamine
CID 82334328
[5-[(3,4-dimethylphenyl)methyl]-4-(2-methylpropyl)-1,2,4-triazol-3-yl]methanamine
CID 115944256
[5-(4-tert-butylcyclohexyl)-4-(2-methylpropyl)-1,2,4-triazol-3-yl]methanamine
CID 115944223

Frequently Asked Questions

What is the IUPAC name of [5-methoxy-4-(2-methylpropyl)-1,2,4-triazol-3-yl]methanamine?
The IUPAC name of [5-methoxy-4-(2-methylpropyl)-1,2,4-triazol-3-yl]methanamine (CID 83876417) is [5-methoxy-4-(2-methylpropyl)-1,2,4-triazol-3-yl]methanamine.
What is the SMILES notation for [5-methoxy-4-(2-methylpropyl)-1,2,4-triazol-3-yl]methanamine?
The canonical SMILES for [5-methoxy-4-(2-methylpropyl)-1,2,4-triazol-3-yl]methanamine is COc1nnc(CN)n1CC(C)C.
What is the InChIKey of [5-methoxy-4-(2-methylpropyl)-1,2,4-triazol-3-yl]methanamine?
The InChIKey is FWWZPNMINXHFLW-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H16N4O/c1-6(2)5-12-7(4-9)10-11-8(12)13-3/h6H,4-5,9H2,1-3H3.
What are the key properties of [5-methoxy-4-(2-methylpropyl)-1,2,4-triazol-3-yl]methanamine?
[5-methoxy-4-(2-methylpropyl)-1,2,4-triazol-3-yl]methanamine has a molecular weight of 184.24 g/mol, XLogP of 0.40, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [5-methoxy-4-(2-methylpropyl)-1,2,4-triazol-3-yl]methanamine is sourced from PubChem (CID 83876417), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).