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

C10H18N4O — CID 106469090

IUPACN-methyl-3-[(2-methyl-1,2,4-triazol-3-yl)methyl]oxan-4-amine
SMILESCNC1CCOCC1Cc1ncnn1C
InChIInChI=1S/C10H18N4O/c1-11-9-3-4-15-6-8(9)5-10-12-7-13-14(10)2/h7-9,11H,3-6H2,1-2H3
InChIKeyKLEGIMHABUPEGI-UHFFFAOYSA-N
MW210.28 g/mol
LogP-0.02
Rot. Bonds3

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

N-methyl-3-[(2-methyl-1,2,4-triazol-3-yl)methyl]oxan-4-amine (PubChem CID 106469090) has the molecular formula C10H18N4O and a molecular weight of 210.28 g/mol. Its IUPAC name is N-methyl-3-[(2-methyl-1,2,4-triazol-3-yl)methyl]oxan-4-amine.

Molecular Properties

Compound NameN-methyl-3-[(2-methyl-1,2,4-triazol-3-yl)methyl]oxan-4-amine
PubChem CID106469090
Molecular FormulaC10H18N4O
Molecular Weight210.28 g/mol
Exact Mass210.15
IUPAC NameN-methyl-3-[(2-methyl-1,2,4-triazol-3-yl)methyl]oxan-4-amine
SMILESCNC1CCOCC1Cc1ncnn1C
InChIInChI=1S/C10H18N4O/c1-11-9-3-4-15-6-8(9)5-10-12-7-13-14(10)2/h7-9,11H,3-6H2,1-2H3
InChIKeyKLEGIMHABUPEGI-UHFFFAOYSA-N
XLogP-0.02
TPSA51.97 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500210.28
LogP ≤ 5-0.02
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-methyl-3-[(2-methyl-1,2,4-triazol-3-yl)methyl]oxan-4-amine?
The IUPAC name of N-methyl-3-[(2-methyl-1,2,4-triazol-3-yl)methyl]oxan-4-amine (CID 106469090) is N-methyl-3-[(2-methyl-1,2,4-triazol-3-yl)methyl]oxan-4-amine.
What is the SMILES notation for N-methyl-3-[(2-methyl-1,2,4-triazol-3-yl)methyl]oxan-4-amine?
The canonical SMILES for N-methyl-3-[(2-methyl-1,2,4-triazol-3-yl)methyl]oxan-4-amine is CNC1CCOCC1Cc1ncnn1C.
What is the InChIKey of N-methyl-3-[(2-methyl-1,2,4-triazol-3-yl)methyl]oxan-4-amine?
The InChIKey is KLEGIMHABUPEGI-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H18N4O/c1-11-9-3-4-15-6-8(9)5-10-12-7-13-14(10)2/h7-9,11H,3-6H2,1-2H3.
What are the key properties of N-methyl-3-[(2-methyl-1,2,4-triazol-3-yl)methyl]oxan-4-amine?
N-methyl-3-[(2-methyl-1,2,4-triazol-3-yl)methyl]oxan-4-amine has a molecular weight of 210.28 g/mol, XLogP of -0.02, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-3-[(2-methyl-1,2,4-triazol-3-yl)methyl]oxan-4-amine is sourced from PubChem (CID 106469090), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).