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

C16H22N4O — CID 78899085

IUPACN-methyl-N-(oxolan-3-ylmethyl)-1-[4-(1,2,4-triazol-1-yl)phenyl]ethanamine
SMILESCC(c1ccc(-n2cncn2)cc1)N(C)CC1CCOC1
InChIInChI=1S/C16H22N4O/c1-13(19(2)9-14-7-8-21-10-14)15-3-5-16(6-4-15)20-12-17-11-18-20/h3-6,11-14H,7-10H2,1-2H3
InChIKeyJZWCAUAROMLVEA-UHFFFAOYSA-N
MW286.38 g/mol
LogP2.30
Rot. Bonds5

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

N-methyl-N-(oxolan-3-ylmethyl)-1-[4-(1,2,4-triazol-1-yl)phenyl]ethanamine (PubChem CID 78899085) has the molecular formula C16H22N4O and a molecular weight of 286.38 g/mol. Its IUPAC name is N-methyl-N-(oxolan-3-ylmethyl)-1-[4-(1,2,4-triazol-1-yl)phenyl]ethanamine.

Molecular Properties

Compound NameN-methyl-N-(oxolan-3-ylmethyl)-1-[4-(1,2,4-triazol-1-yl)phenyl]ethanamine
PubChem CID78899085
Molecular FormulaC16H22N4O
Molecular Weight286.38 g/mol
Exact Mass286.18
IUPAC NameN-methyl-N-(oxolan-3-ylmethyl)-1-[4-(1,2,4-triazol-1-yl)phenyl]ethanamine
SMILESCC(c1ccc(-n2cncn2)cc1)N(C)CC1CCOC1
InChIInChI=1S/C16H22N4O/c1-13(19(2)9-14-7-8-21-10-14)15-3-5-16(6-4-15)20-12-17-11-18-20/h3-6,11-14H,7-10H2,1-2H3
InChIKeyJZWCAUAROMLVEA-UHFFFAOYSA-N
XLogP2.30
TPSA43.18 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500286.38
LogP ≤ 52.30
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-methyl-N-(oxolan-3-ylmethyl)-1-[4-(1,2,4-triazol-1-yl)phenyl]ethanamine?
The IUPAC name of N-methyl-N-(oxolan-3-ylmethyl)-1-[4-(1,2,4-triazol-1-yl)phenyl]ethanamine (CID 78899085) is N-methyl-N-(oxolan-3-ylmethyl)-1-[4-(1,2,4-triazol-1-yl)phenyl]ethanamine.
What is the SMILES notation for N-methyl-N-(oxolan-3-ylmethyl)-1-[4-(1,2,4-triazol-1-yl)phenyl]ethanamine?
The canonical SMILES for N-methyl-N-(oxolan-3-ylmethyl)-1-[4-(1,2,4-triazol-1-yl)phenyl]ethanamine is CC(c1ccc(-n2cncn2)cc1)N(C)CC1CCOC1.
What is the InChIKey of N-methyl-N-(oxolan-3-ylmethyl)-1-[4-(1,2,4-triazol-1-yl)phenyl]ethanamine?
The InChIKey is JZWCAUAROMLVEA-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H22N4O/c1-13(19(2)9-14-7-8-21-10-14)15-3-5-16(6-4-15)20-12-17-11-18-20/h3-6,11-14H,7-10H2,1-2H3.
What are the key properties of N-methyl-N-(oxolan-3-ylmethyl)-1-[4-(1,2,4-triazol-1-yl)phenyl]ethanamine?
N-methyl-N-(oxolan-3-ylmethyl)-1-[4-(1,2,4-triazol-1-yl)phenyl]ethanamine has a molecular weight of 286.38 g/mol, XLogP of 2.30, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-N-(oxolan-3-ylmethyl)-1-[4-(1,2,4-triazol-1-yl)phenyl]ethanamine is sourced from PubChem (CID 78899085), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).