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

C6H11N3O — CID 12888415

IUPAC4-(3-methoxypropyl)-1,2,4-triazole
SMILESCOCCCn1cnnc1
InChIInChI=1S/C6H11N3O/c1-10-4-2-3-9-5-7-8-6-9/h5-6H,2-4H2,1H3
InChIKeyKHKUOMMXWCMGGM-UHFFFAOYSA-N
MW141.17 g/mol
LogP0.31
Rot. Bonds4

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

4-(3-methoxypropyl)-1,2,4-triazole (PubChem CID 12888415) has the molecular formula C6H11N3O and a molecular weight of 141.17 g/mol. Its IUPAC name is 4-(3-methoxypropyl)-1,2,4-triazole.

Molecular Properties

Compound Name4-(3-methoxypropyl)-1,2,4-triazole
PubChem CID12888415
Molecular FormulaC6H11N3O
Molecular Weight141.17 g/mol
Exact Mass141.09
IUPAC Name4-(3-methoxypropyl)-1,2,4-triazole
SMILESCOCCCn1cnnc1
InChIInChI=1S/C6H11N3O/c1-10-4-2-3-9-5-7-8-6-9/h5-6H,2-4H2,1H3
InChIKeyKHKUOMMXWCMGGM-UHFFFAOYSA-N
XLogP0.31
TPSA39.94 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500141.17
LogP ≤ 50.31
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 4-(3-methoxypropyl)-1,2,4-triazole?
The IUPAC name of 4-(3-methoxypropyl)-1,2,4-triazole (CID 12888415) is 4-(3-methoxypropyl)-1,2,4-triazole.
What is the SMILES notation for 4-(3-methoxypropyl)-1,2,4-triazole?
The canonical SMILES for 4-(3-methoxypropyl)-1,2,4-triazole is COCCCn1cnnc1.
What is the InChIKey of 4-(3-methoxypropyl)-1,2,4-triazole?
The InChIKey is KHKUOMMXWCMGGM-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H11N3O/c1-10-4-2-3-9-5-7-8-6-9/h5-6H,2-4H2,1H3.
What are the key properties of 4-(3-methoxypropyl)-1,2,4-triazole?
4-(3-methoxypropyl)-1,2,4-triazole has a molecular weight of 141.17 g/mol, XLogP of 0.31, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(3-methoxypropyl)-1,2,4-triazole is sourced from PubChem (CID 12888415), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).