N-[(2-ethyl-1,2,4-triazol-3-yl)methyl]-2-methyloxolan-3-amine

C10H18N4O — CID 82726489

IUPACN-[(2-ethyl-1,2,4-triazol-3-yl)methyl]-2-methyloxolan-3-amine
SMILESCCn1ncnc1CNC1CCOC1C
InChIInChI=1S/C10H18N4O/c1-3-14-10(12-7-13-14)6-11-9-4-5-15-8(9)2/h7-9,11H,3-6H2,1-2H3
InChIKeyVIXGAWYZTNWUIE-UHFFFAOYSA-N
MW210.28 g/mol
LogP0.56
Rot. Bonds4

About N-[(2-ethyl-1,2,4-triazol-3-yl)methyl]-2-methyloxolan-3-amine

N-[(2-ethyl-1,2,4-triazol-3-yl)methyl]-2-methyloxolan-3-amine (PubChem CID 82726489) has the molecular formula C10H18N4O and a molecular weight of 210.28 g/mol. Its IUPAC name is N-[(2-ethyl-1,2,4-triazol-3-yl)methyl]-2-methyloxolan-3-amine.

Molecular Properties

Compound NameN-[(2-ethyl-1,2,4-triazol-3-yl)methyl]-2-methyloxolan-3-amine
PubChem CID82726489
Molecular FormulaC10H18N4O
Molecular Weight210.28 g/mol
Exact Mass210.15
IUPAC NameN-[(2-ethyl-1,2,4-triazol-3-yl)methyl]-2-methyloxolan-3-amine
SMILESCCn1ncnc1CNC1CCOC1C
InChIInChI=1S/C10H18N4O/c1-3-14-10(12-7-13-14)6-11-9-4-5-15-8(9)2/h7-9,11H,3-6H2,1-2H3
InChIKeyVIXGAWYZTNWUIE-UHFFFAOYSA-N
XLogP0.56
TPSA51.97 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500210.28
LogP ≤ 50.56
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-[(2-ethyl-1,2,4-triazol-3-yl)methyl]-2-methyloxolan-3-amine?
The IUPAC name of N-[(2-ethyl-1,2,4-triazol-3-yl)methyl]-2-methyloxolan-3-amine (CID 82726489) is N-[(2-ethyl-1,2,4-triazol-3-yl)methyl]-2-methyloxolan-3-amine.
What is the SMILES notation for N-[(2-ethyl-1,2,4-triazol-3-yl)methyl]-2-methyloxolan-3-amine?
The canonical SMILES for N-[(2-ethyl-1,2,4-triazol-3-yl)methyl]-2-methyloxolan-3-amine is CCn1ncnc1CNC1CCOC1C.
What is the InChIKey of N-[(2-ethyl-1,2,4-triazol-3-yl)methyl]-2-methyloxolan-3-amine?
The InChIKey is VIXGAWYZTNWUIE-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H18N4O/c1-3-14-10(12-7-13-14)6-11-9-4-5-15-8(9)2/h7-9,11H,3-6H2,1-2H3.
What are the key properties of N-[(2-ethyl-1,2,4-triazol-3-yl)methyl]-2-methyloxolan-3-amine?
N-[(2-ethyl-1,2,4-triazol-3-yl)methyl]-2-methyloxolan-3-amine has a molecular weight of 210.28 g/mol, XLogP of 0.56, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2-ethyl-1,2,4-triazol-3-yl)methyl]-2-methyloxolan-3-amine is sourced from PubChem (CID 82726489), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).