5-[4-(2-methoxyethyl)-1,2,4-triazol-3-yl]pentan-1-amine

C10H20N4O — CID 62710049

IUPAC5-[4-(2-methoxyethyl)-1,2,4-triazol-3-yl]pentan-1-amine
SMILESCOCCn1cnnc1CCCCCN
InChIInChI=1S/C10H20N4O/c1-15-8-7-14-9-12-13-10(14)5-3-2-4-6-11/h9H,2-8,11H2,1H3
InChIKeyOTCHTKVVTQEVGN-UHFFFAOYSA-N
MW212.30 g/mol
LogP0.60
Rot. Bonds8

About 5-[4-(2-methoxyethyl)-1,2,4-triazol-3-yl]pentan-1-amine

5-[4-(2-methoxyethyl)-1,2,4-triazol-3-yl]pentan-1-amine (PubChem CID 62710049) has the molecular formula C10H20N4O and a molecular weight of 212.30 g/mol. Its IUPAC name is 5-[4-(2-methoxyethyl)-1,2,4-triazol-3-yl]pentan-1-amine.

Molecular Properties

Compound Name5-[4-(2-methoxyethyl)-1,2,4-triazol-3-yl]pentan-1-amine
PubChem CID62710049
Molecular FormulaC10H20N4O
Molecular Weight212.30 g/mol
Exact Mass212.16
IUPAC Name5-[4-(2-methoxyethyl)-1,2,4-triazol-3-yl]pentan-1-amine
SMILESCOCCn1cnnc1CCCCCN
InChIInChI=1S/C10H20N4O/c1-15-8-7-14-9-12-13-10(14)5-3-2-4-6-11/h9H,2-8,11H2,1H3
InChIKeyOTCHTKVVTQEVGN-UHFFFAOYSA-N
XLogP0.60
TPSA65.96 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500212.30
LogP ≤ 50.60
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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Frequently Asked Questions

What is the IUPAC name of 5-[4-(2-methoxyethyl)-1,2,4-triazol-3-yl]pentan-1-amine?
The IUPAC name of 5-[4-(2-methoxyethyl)-1,2,4-triazol-3-yl]pentan-1-amine (CID 62710049) is 5-[4-(2-methoxyethyl)-1,2,4-triazol-3-yl]pentan-1-amine.
What is the SMILES notation for 5-[4-(2-methoxyethyl)-1,2,4-triazol-3-yl]pentan-1-amine?
The canonical SMILES for 5-[4-(2-methoxyethyl)-1,2,4-triazol-3-yl]pentan-1-amine is COCCn1cnnc1CCCCCN.
What is the InChIKey of 5-[4-(2-methoxyethyl)-1,2,4-triazol-3-yl]pentan-1-amine?
The InChIKey is OTCHTKVVTQEVGN-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H20N4O/c1-15-8-7-14-9-12-13-10(14)5-3-2-4-6-11/h9H,2-8,11H2,1H3.
What are the key properties of 5-[4-(2-methoxyethyl)-1,2,4-triazol-3-yl]pentan-1-amine?
5-[4-(2-methoxyethyl)-1,2,4-triazol-3-yl]pentan-1-amine has a molecular weight of 212.30 g/mol, XLogP of 0.60, 8 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[4-(2-methoxyethyl)-1,2,4-triazol-3-yl]pentan-1-amine is sourced from PubChem (CID 62710049), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).