4-(3-methoxypropyl)-3-methyl-1,2,4-triazole

C7H13N3O — CID 143913721

IUPAC4-(3-methoxypropyl)-3-methyl-1,2,4-triazole
SMILESCOCCCn1cnnc1C
InChIInChI=1S/C7H13N3O/c1-7-9-8-6-10(7)4-3-5-11-2/h6H,3-5H2,1-2H3
InChIKeyVKTCDXLMFGJPFU-UHFFFAOYSA-N
MW155.20 g/mol
LogP0.62
Rot. Bonds4

About 4-(3-methoxypropyl)-3-methyl-1,2,4-triazole

4-(3-methoxypropyl)-3-methyl-1,2,4-triazole (PubChem CID 143913721) has the molecular formula C7H13N3O and a molecular weight of 155.20 g/mol. Its IUPAC name is 4-(3-methoxypropyl)-3-methyl-1,2,4-triazole.

Molecular Properties

Compound Name4-(3-methoxypropyl)-3-methyl-1,2,4-triazole
PubChem CID143913721
Molecular FormulaC7H13N3O
Molecular Weight155.20 g/mol
Exact Mass155.11
IUPAC Name4-(3-methoxypropyl)-3-methyl-1,2,4-triazole
SMILESCOCCCn1cnnc1C
InChIInChI=1S/C7H13N3O/c1-7-9-8-6-10(7)4-3-5-11-2/h6H,3-5H2,1-2H3
InChIKeyVKTCDXLMFGJPFU-UHFFFAOYSA-N
XLogP0.62
TPSA39.94 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500155.20
LogP ≤ 50.62
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze 4-(3-methoxypropyl)-3-methyl-1,2,4-triazole with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

4-ethyl-3-methyl-4H-1,2,4-triazole
CID 12278549
3-ethyl-4-methyl-4H-1,2,4-triazole
CID 18726713
4-Propyl-4H-1,2,4-triazole-3-methanol
CID 22938629
3-methyl-4-propyl-4H-1,2,4-triazole
CID 53870217
2-(4-methyl-4H-1,2,4-triazol-3-yl)ethan-1-ol
CID 75360918
2-(1-methyl-1H-1,2,4-triazol-5-yl)ethan-1-ol
CID 65600773
4-(2,2-Difluoroethyl)-3-(methoxymethyl)-1,2,4-triazole
CID 178822883
3-(Difluoromethyl)-1-(3-methoxypropyl)-1,2,4-triazole
CID 100760857
3-[2-(2,2-Difluoroethoxy)ethyl]-4-(2-methoxyethyl)-1,2,4-triazole
CID 103213652
4-Propan-2-yl-3-[2-(2,2,2-trifluoroethoxy)ethyl]-1,2,4-triazole
CID 103213654
3-[2-(2,2-Difluoroethoxy)ethyl]-4-propan-2-yl-1,2,4-triazole
CID 103213655
4-Ethyl-3-[2-(2,2,2-trifluoroethoxy)ethyl]-1,2,4-triazole
CID 103213662

Frequently Asked Questions

What is the IUPAC name of 4-(3-methoxypropyl)-3-methyl-1,2,4-triazole?
The IUPAC name of 4-(3-methoxypropyl)-3-methyl-1,2,4-triazole (CID 143913721) is 4-(3-methoxypropyl)-3-methyl-1,2,4-triazole.
What is the SMILES notation for 4-(3-methoxypropyl)-3-methyl-1,2,4-triazole?
The canonical SMILES for 4-(3-methoxypropyl)-3-methyl-1,2,4-triazole is COCCCn1cnnc1C.
What is the InChIKey of 4-(3-methoxypropyl)-3-methyl-1,2,4-triazole?
The InChIKey is VKTCDXLMFGJPFU-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H13N3O/c1-7-9-8-6-10(7)4-3-5-11-2/h6H,3-5H2,1-2H3.
What are the key properties of 4-(3-methoxypropyl)-3-methyl-1,2,4-triazole?
4-(3-methoxypropyl)-3-methyl-1,2,4-triazole has a molecular weight of 155.20 g/mol, XLogP of 0.62, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(3-methoxypropyl)-3-methyl-1,2,4-triazole is sourced from PubChem (CID 143913721), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).