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

C9H16N4O — CID 103907127

IUPAC2-methyl-N-[(1-methyl-1,2,4-triazol-3-yl)methyl]oxolan-3-amine
SMILESCC1OCCC1NCc1ncn(C)n1
InChIInChI=1S/C9H16N4O/c1-7-8(3-4-14-7)10-5-9-11-6-13(2)12-9/h6-8,10H,3-5H2,1-2H3
InChIKeyBMLIXOCEAJLDFY-UHFFFAOYSA-N
MW196.25 g/mol
LogP0.08
Rot. Bonds3

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

2-methyl-N-[(1-methyl-1,2,4-triazol-3-yl)methyl]oxolan-3-amine (PubChem CID 103907127) has the molecular formula C9H16N4O and a molecular weight of 196.25 g/mol. Its IUPAC name is 2-methyl-N-[(1-methyl-1,2,4-triazol-3-yl)methyl]oxolan-3-amine.

Molecular Properties

Compound Name2-methyl-N-[(1-methyl-1,2,4-triazol-3-yl)methyl]oxolan-3-amine
PubChem CID103907127
Molecular FormulaC9H16N4O
Molecular Weight196.25 g/mol
Exact Mass196.13
IUPAC Name2-methyl-N-[(1-methyl-1,2,4-triazol-3-yl)methyl]oxolan-3-amine
SMILESCC1OCCC1NCc1ncn(C)n1
InChIInChI=1S/C9H16N4O/c1-7-8(3-4-14-7)10-5-9-11-6-13(2)12-9/h6-8,10H,3-5H2,1-2H3
InChIKeyBMLIXOCEAJLDFY-UHFFFAOYSA-N
XLogP0.08
TPSA51.97 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500196.25
LogP ≤ 50.08
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-methyl-N-[(1-methyl-1,2,4-triazol-3-yl)methyl]oxolan-3-amine?
The IUPAC name of 2-methyl-N-[(1-methyl-1,2,4-triazol-3-yl)methyl]oxolan-3-amine (CID 103907127) is 2-methyl-N-[(1-methyl-1,2,4-triazol-3-yl)methyl]oxolan-3-amine.
What is the SMILES notation for 2-methyl-N-[(1-methyl-1,2,4-triazol-3-yl)methyl]oxolan-3-amine?
The canonical SMILES for 2-methyl-N-[(1-methyl-1,2,4-triazol-3-yl)methyl]oxolan-3-amine is CC1OCCC1NCc1ncn(C)n1.
What is the InChIKey of 2-methyl-N-[(1-methyl-1,2,4-triazol-3-yl)methyl]oxolan-3-amine?
The InChIKey is BMLIXOCEAJLDFY-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H16N4O/c1-7-8(3-4-14-7)10-5-9-11-6-13(2)12-9/h6-8,10H,3-5H2,1-2H3.
What are the key properties of 2-methyl-N-[(1-methyl-1,2,4-triazol-3-yl)methyl]oxolan-3-amine?
2-methyl-N-[(1-methyl-1,2,4-triazol-3-yl)methyl]oxolan-3-amine has a molecular weight of 196.25 g/mol, XLogP of 0.08, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-N-[(1-methyl-1,2,4-triazol-3-yl)methyl]oxolan-3-amine is sourced from PubChem (CID 103907127), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).