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

C11H22N4O — CID 112593792

IUPAC[5-(3-methoxy-2-methylpropyl)-4-propyl-1,2,4-triazol-3-yl]methanamine
SMILESCCCn1c(CN)nnc1CC(C)COC
InChIInChI=1S/C11H22N4O/c1-4-5-15-10(6-9(2)8-16-3)13-14-11(15)7-12/h9H,4-8,12H2,1-3H3
InChIKeyWAMNQJXONAOVFZ-UHFFFAOYSA-N
MW226.32 g/mol
LogP0.97
Rot. Bonds7

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

[5-(3-methoxy-2-methylpropyl)-4-propyl-1,2,4-triazol-3-yl]methanamine (PubChem CID 112593792) has the molecular formula C11H22N4O and a molecular weight of 226.32 g/mol. Its IUPAC name is [5-(3-methoxy-2-methylpropyl)-4-propyl-1,2,4-triazol-3-yl]methanamine.

Molecular Properties

Compound Name[5-(3-methoxy-2-methylpropyl)-4-propyl-1,2,4-triazol-3-yl]methanamine
PubChem CID112593792
Molecular FormulaC11H22N4O
Molecular Weight226.32 g/mol
Exact Mass226.18
IUPAC Name[5-(3-methoxy-2-methylpropyl)-4-propyl-1,2,4-triazol-3-yl]methanamine
SMILESCCCn1c(CN)nnc1CC(C)COC
InChIInChI=1S/C11H22N4O/c1-4-5-15-10(6-9(2)8-16-3)13-14-11(15)7-12/h9H,4-8,12H2,1-3H3
InChIKeyWAMNQJXONAOVFZ-UHFFFAOYSA-N
XLogP0.97
TPSA65.96 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500226.32
LogP ≤ 50.97
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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

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Related Compounds

3-(chloromethyl)-5-(3-methoxy-2-methylpropyl)-4-propyl-1,2,4-triazole
CID 115398249
[5-(2-methylpropyl)-4-propyl-1,2,4-triazol-3-yl]methanamine
CID 112593728
[4-(2-methoxyethyl)-5-(2,4,4-trimethylpentyl)-1,2,4-triazol-3-yl]methanamine
CID 112592807
3-(chloromethyl)-4-(2-methoxyethyl)-5-(3-methoxy-2-methylpropyl)-1,2,4-triazole
CID 115397428
[5-[2-(2,2-difluoroethoxy)ethyl]-4-propyl-1,2,4-triazol-3-yl]methanamine
CID 103213778
[4-(2-methoxyethyl)-5-pentyl-1,2,4-triazol-3-yl]methanamine
CID 112592767
[4-propyl-5-(2,2,2-trifluoroethyl)-1,2,4-triazol-3-yl]methanamine
CID 112593682
5-(2-methylbutyl)-4-propyl-1,2,4-triazole-3-sulfonyl fluoride
CID 165476841
[4-(2-methoxyethyl)-5-(2,2,2-trifluoroethyl)-1,2,4-triazol-3-yl]methanamine
CID 112592777
[5-(4-propan-2-ylphenyl)-4-propyl-1,2,4-triazol-3-yl]methanamine
CID 112593737
[5-(2-cyclopentylethyl)-4-propyl-1,2,4-triazol-3-yl]methanamine
CID 112593700
3-(chloromethyl)-4-(2-methoxyethyl)-5-(2-methylpropyl)-1,2,4-triazole
CID 115397522

Frequently Asked Questions

What is the IUPAC name of [5-(3-methoxy-2-methylpropyl)-4-propyl-1,2,4-triazol-3-yl]methanamine?
The IUPAC name of [5-(3-methoxy-2-methylpropyl)-4-propyl-1,2,4-triazol-3-yl]methanamine (CID 112593792) is [5-(3-methoxy-2-methylpropyl)-4-propyl-1,2,4-triazol-3-yl]methanamine.
What is the SMILES notation for [5-(3-methoxy-2-methylpropyl)-4-propyl-1,2,4-triazol-3-yl]methanamine?
The canonical SMILES for [5-(3-methoxy-2-methylpropyl)-4-propyl-1,2,4-triazol-3-yl]methanamine is CCCn1c(CN)nnc1CC(C)COC.
What is the InChIKey of [5-(3-methoxy-2-methylpropyl)-4-propyl-1,2,4-triazol-3-yl]methanamine?
The InChIKey is WAMNQJXONAOVFZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H22N4O/c1-4-5-15-10(6-9(2)8-16-3)13-14-11(15)7-12/h9H,4-8,12H2,1-3H3.
What are the key properties of [5-(3-methoxy-2-methylpropyl)-4-propyl-1,2,4-triazol-3-yl]methanamine?
[5-(3-methoxy-2-methylpropyl)-4-propyl-1,2,4-triazol-3-yl]methanamine has a molecular weight of 226.32 g/mol, XLogP of 0.97, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [5-(3-methoxy-2-methylpropyl)-4-propyl-1,2,4-triazol-3-yl]methanamine is sourced from PubChem (CID 112593792), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).