2-(4-methyl-1,2,4-triazol-3-yl)-N-(oxolan-2-ylmethyl)ethanamine

C10H18N4O — CID 63332785

IUPAC2-(4-methyl-1,2,4-triazol-3-yl)-N-(oxolan-2-ylmethyl)ethanamine
SMILESCn1cnnc1CCNCC1CCCO1
InChIInChI=1S/C10H18N4O/c1-14-8-12-13-10(14)4-5-11-7-9-3-2-6-15-9/h8-9,11H,2-7H2,1H3
InChIKeyKVPJEJNBTPTBQG-UHFFFAOYSA-N
MW210.28 g/mol
LogP0.13
Rot. Bonds5

About 2-(4-methyl-1,2,4-triazol-3-yl)-N-(oxolan-2-ylmethyl)ethanamine

2-(4-methyl-1,2,4-triazol-3-yl)-N-(oxolan-2-ylmethyl)ethanamine (PubChem CID 63332785) has the molecular formula C10H18N4O and a molecular weight of 210.28 g/mol. Its IUPAC name is 2-(4-methyl-1,2,4-triazol-3-yl)-N-(oxolan-2-ylmethyl)ethanamine.

Molecular Properties

Compound Name2-(4-methyl-1,2,4-triazol-3-yl)-N-(oxolan-2-ylmethyl)ethanamine
PubChem CID63332785
Molecular FormulaC10H18N4O
Molecular Weight210.28 g/mol
Exact Mass210.15
IUPAC Name2-(4-methyl-1,2,4-triazol-3-yl)-N-(oxolan-2-ylmethyl)ethanamine
SMILESCn1cnnc1CCNCC1CCCO1
InChIInChI=1S/C10H18N4O/c1-14-8-12-13-10(14)4-5-11-7-9-3-2-6-15-9/h8-9,11H,2-7H2,1H3
InChIKeyKVPJEJNBTPTBQG-UHFFFAOYSA-N
XLogP0.13
TPSA51.97 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500210.28
LogP ≤ 50.13
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 2-(4-methyl-1,2,4-triazol-3-yl)-N-(oxolan-2-ylmethyl)ethanamine?
The IUPAC name of 2-(4-methyl-1,2,4-triazol-3-yl)-N-(oxolan-2-ylmethyl)ethanamine (CID 63332785) is 2-(4-methyl-1,2,4-triazol-3-yl)-N-(oxolan-2-ylmethyl)ethanamine.
What is the SMILES notation for 2-(4-methyl-1,2,4-triazol-3-yl)-N-(oxolan-2-ylmethyl)ethanamine?
The canonical SMILES for 2-(4-methyl-1,2,4-triazol-3-yl)-N-(oxolan-2-ylmethyl)ethanamine is Cn1cnnc1CCNCC1CCCO1.
What is the InChIKey of 2-(4-methyl-1,2,4-triazol-3-yl)-N-(oxolan-2-ylmethyl)ethanamine?
The InChIKey is KVPJEJNBTPTBQG-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H18N4O/c1-14-8-12-13-10(14)4-5-11-7-9-3-2-6-15-9/h8-9,11H,2-7H2,1H3.
What are the key properties of 2-(4-methyl-1,2,4-triazol-3-yl)-N-(oxolan-2-ylmethyl)ethanamine?
2-(4-methyl-1,2,4-triazol-3-yl)-N-(oxolan-2-ylmethyl)ethanamine has a molecular weight of 210.28 g/mol, XLogP of 0.13, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-methyl-1,2,4-triazol-3-yl)-N-(oxolan-2-ylmethyl)ethanamine is sourced from PubChem (CID 63332785), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).