1-[4-(3-methoxypropyl)-1,2,4-triazol-3-yl]-N-methylmethanamine

C8H16N4O — CID 98013965

IUPAC1-[4-(3-methoxypropyl)-1,2,4-triazol-3-yl]-N-methylmethanamine
SMILESCNCc1nncn1CCCOC
InChIInChI=1S/C8H16N4O/c1-9-6-8-11-10-7-12(8)4-3-5-13-2/h7,9H,3-6H2,1-2H3
InChIKeyXUYAHUQXRDDSIM-UHFFFAOYSA-N
MW184.24 g/mol
LogP0.03
Rot. Bonds6

About 1-[4-(3-methoxypropyl)-1,2,4-triazol-3-yl]-N-methylmethanamine

1-[4-(3-methoxypropyl)-1,2,4-triazol-3-yl]-N-methylmethanamine (PubChem CID 98013965) has the molecular formula C8H16N4O and a molecular weight of 184.24 g/mol. Its IUPAC name is 1-[4-(3-methoxypropyl)-1,2,4-triazol-3-yl]-N-methylmethanamine.

Molecular Properties

Compound Name1-[4-(3-methoxypropyl)-1,2,4-triazol-3-yl]-N-methylmethanamine
PubChem CID98013965
Molecular FormulaC8H16N4O
Molecular Weight184.24 g/mol
Exact Mass184.13
IUPAC Name1-[4-(3-methoxypropyl)-1,2,4-triazol-3-yl]-N-methylmethanamine
SMILESCNCc1nncn1CCCOC
InChIInChI=1S/C8H16N4O/c1-9-6-8-11-10-7-12(8)4-3-5-13-2/h7,9H,3-6H2,1-2H3
InChIKeyXUYAHUQXRDDSIM-UHFFFAOYSA-N
XLogP0.03
TPSA51.97 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500184.24
LogP ≤ 50.03
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

N-[[4-(3-methoxypropyl)-1,2,4-triazol-3-yl]methyl]ethanesulfonamide
CID 131901484
N-[[4-(3-methoxypropyl)-1,2,4-triazol-3-yl]methyl]piperidin-4-amine
CID 131913113
N-[[4-(3-methoxypropyl)-1,2,4-triazol-3-yl]methyl]-6-methylpyrazin-2-amine
CID 134709049
N-[[4-(3-methoxypropyl)-1,2,4-triazol-3-yl]methyl]-4-methylpyrimidin-2-amine
CID 72842483
2-[4-(2-methoxyethyl)-1,2,4-triazol-3-yl]-N-methylethanamine
CID 62711589
1-[[4-(3-methoxypropyl)-1,2,4-triazol-3-yl]methyl]-3-[(4-methylphenyl)methyl]urea
CID 131938862
N-[[4-(3-methoxypropyl)-1,2,4-triazol-3-yl]methyl]-2-pyrrolidin-1-ylacetamide
CID 91785470
4-N-[[4-(3-methoxypropyl)-1,2,4-triazol-3-yl]methyl]-5,6-dimethylpyrimidine-2,4-diamine
CID 72853296
1-(4-fluorophenyl)-N-[[4-(3-methoxypropyl)-1,2,4-triazol-3-yl]methyl]methanesulfonamide
CID 131919964
3-ethyl-4-(2-methoxyethyl)-1,2,4-triazole
CID 115393588
N-[[4-(3-methoxypropyl)-1,2,4-triazol-3-yl]methyl]-6-methyl-2-oxo-1H-pyridine-3-carboxamide
CID 131920489
2-methoxy-N-[[4-(3-methoxypropyl)-1,2,4-triazol-3-yl]methyl]-4-methylbenzenesulfonamide
CID 131938285

Frequently Asked Questions

What is the IUPAC name of 1-[4-(3-methoxypropyl)-1,2,4-triazol-3-yl]-N-methylmethanamine?
The IUPAC name of 1-[4-(3-methoxypropyl)-1,2,4-triazol-3-yl]-N-methylmethanamine (CID 98013965) is 1-[4-(3-methoxypropyl)-1,2,4-triazol-3-yl]-N-methylmethanamine.
What is the SMILES notation for 1-[4-(3-methoxypropyl)-1,2,4-triazol-3-yl]-N-methylmethanamine?
The canonical SMILES for 1-[4-(3-methoxypropyl)-1,2,4-triazol-3-yl]-N-methylmethanamine is CNCc1nncn1CCCOC.
What is the InChIKey of 1-[4-(3-methoxypropyl)-1,2,4-triazol-3-yl]-N-methylmethanamine?
The InChIKey is XUYAHUQXRDDSIM-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H16N4O/c1-9-6-8-11-10-7-12(8)4-3-5-13-2/h7,9H,3-6H2,1-2H3.
What are the key properties of 1-[4-(3-methoxypropyl)-1,2,4-triazol-3-yl]-N-methylmethanamine?
1-[4-(3-methoxypropyl)-1,2,4-triazol-3-yl]-N-methylmethanamine has a molecular weight of 184.24 g/mol, XLogP of 0.03, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-(3-methoxypropyl)-1,2,4-triazol-3-yl]-N-methylmethanamine is sourced from PubChem (CID 98013965), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).