N-methyl-1-(5-methyloxolan-2-yl)-1-(3-phenyltriazol-4-yl)methanamine

C15H20N4O — CID 105043162

IUPACN-methyl-1-(5-methyloxolan-2-yl)-1-(3-phenyltriazol-4-yl)methanamine
SMILESCNC(c1cnnn1-c1ccccc1)C1CCC(C)O1
InChIInChI=1S/C15H20N4O/c1-11-8-9-14(20-11)15(16-2)13-10-17-18-19(13)12-6-4-3-5-7-12/h3-7,10-11,14-16H,8-9H2,1-2H3
InChIKeyWIFXGBWZGRPWKX-UHFFFAOYSA-N
MW272.35 g/mol
LogP2.10
Rot. Bonds4

About N-methyl-1-(5-methyloxolan-2-yl)-1-(3-phenyltriazol-4-yl)methanamine

N-methyl-1-(5-methyloxolan-2-yl)-1-(3-phenyltriazol-4-yl)methanamine (PubChem CID 105043162) has the molecular formula C15H20N4O and a molecular weight of 272.35 g/mol. Its IUPAC name is N-methyl-1-(5-methyloxolan-2-yl)-1-(3-phenyltriazol-4-yl)methanamine.

Molecular Properties

Compound NameN-methyl-1-(5-methyloxolan-2-yl)-1-(3-phenyltriazol-4-yl)methanamine
PubChem CID105043162
Molecular FormulaC15H20N4O
Molecular Weight272.35 g/mol
Exact Mass272.16
IUPAC NameN-methyl-1-(5-methyloxolan-2-yl)-1-(3-phenyltriazol-4-yl)methanamine
SMILESCNC(c1cnnn1-c1ccccc1)C1CCC(C)O1
InChIInChI=1S/C15H20N4O/c1-11-8-9-14(20-11)15(16-2)13-10-17-18-19(13)12-6-4-3-5-7-12/h3-7,10-11,14-16H,8-9H2,1-2H3
InChIKeyWIFXGBWZGRPWKX-UHFFFAOYSA-N
XLogP2.10
TPSA51.97 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500272.35
LogP ≤ 52.10
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

[(5-methyloxolan-2-yl)-(3-methyltriazol-4-yl)methyl]hydrazine
CID 105337682
[(2-methylcyclopentyl)-(3-phenyltriazol-4-yl)methyl]hydrazine
CID 107194806
[(3-methylcyclohexyl)-(3-phenyltriazol-4-yl)methyl]hydrazine
CID 105210469
N-methyl-2-(oxolan-3-yl)-1-(3-phenyltriazol-4-yl)ethanamine
CID 114689023
2,2-difluoro-N-methyl-1-(3-phenyltriazol-4-yl)ethanamine
CID 103517148
1-(2,3-dimethylphenyl)-N-methyl-1-(5-methyloxolan-2-yl)methanamine
CID 115850284
N-methyl-2-(oxolan-2-yl)-1-(3-phenyltriazol-4-yl)ethanamine
CID 114687122
2,2,2-trifluoro-N-methyl-1-(3-phenyltriazol-4-yl)ethanamine
CID 105043304
N-methyl-1-(5-methyloxolan-2-yl)-1-naphthalen-2-ylmethanamine
CID 115850967
1-(furan-2-yl)-N-methyl-1-(3-phenyltriazol-4-yl)methanamine
CID 114687548
cyclopropyl-(3-phenyltriazol-4-yl)methanamine
CID 114687020
N-[(3-phenyltriazol-4-yl)-(thiolan-3-yl)methyl]propan-1-amine
CID 105184397

Frequently Asked Questions

What is the IUPAC name of N-methyl-1-(5-methyloxolan-2-yl)-1-(3-phenyltriazol-4-yl)methanamine?
The IUPAC name of N-methyl-1-(5-methyloxolan-2-yl)-1-(3-phenyltriazol-4-yl)methanamine (CID 105043162) is N-methyl-1-(5-methyloxolan-2-yl)-1-(3-phenyltriazol-4-yl)methanamine.
What is the SMILES notation for N-methyl-1-(5-methyloxolan-2-yl)-1-(3-phenyltriazol-4-yl)methanamine?
The canonical SMILES for N-methyl-1-(5-methyloxolan-2-yl)-1-(3-phenyltriazol-4-yl)methanamine is CNC(c1cnnn1-c1ccccc1)C1CCC(C)O1.
What is the InChIKey of N-methyl-1-(5-methyloxolan-2-yl)-1-(3-phenyltriazol-4-yl)methanamine?
The InChIKey is WIFXGBWZGRPWKX-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20N4O/c1-11-8-9-14(20-11)15(16-2)13-10-17-18-19(13)12-6-4-3-5-7-12/h3-7,10-11,14-16H,8-9H2,1-2H3.
What are the key properties of N-methyl-1-(5-methyloxolan-2-yl)-1-(3-phenyltriazol-4-yl)methanamine?
N-methyl-1-(5-methyloxolan-2-yl)-1-(3-phenyltriazol-4-yl)methanamine has a molecular weight of 272.35 g/mol, XLogP of 2.10, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-1-(5-methyloxolan-2-yl)-1-(3-phenyltriazol-4-yl)methanamine is sourced from PubChem (CID 105043162), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).