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

C15H20N4O — CID 138055540

IUPAC(2R,3R)-2-methyl-N-[1-[3-(1,2,4-triazol-4-yl)phenyl]ethyl]oxolan-3-amine
SMILESCC(N[C@@H]1CCO[C@@H]1C)c1cccc(-n2cnnc2)c1
InChIInChI=1S/C15H20N4O/c1-11(18-15-6-7-20-12(15)2)13-4-3-5-14(8-13)19-9-16-17-10-19/h3-5,8-12,15,18H,6-7H2,1-2H3/t11?,12-,15-/m1/s1
InChIKeyGNEBCDRSLPZWIT-AADWAWOOSA-N
MW272.35 g/mol
LogP2.10
Rot. Bonds4

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

(2R,3R)-2-methyl-N-[1-[3-(1,2,4-triazol-4-yl)phenyl]ethyl]oxolan-3-amine (PubChem CID 138055540) has the molecular formula C15H20N4O and a molecular weight of 272.35 g/mol. Its IUPAC name is (2R,3R)-2-methyl-N-[1-[3-(1,2,4-triazol-4-yl)phenyl]ethyl]oxolan-3-amine.

Molecular Properties

Compound Name(2R,3R)-2-methyl-N-[1-[3-(1,2,4-triazol-4-yl)phenyl]ethyl]oxolan-3-amine
PubChem CID138055540
Molecular FormulaC15H20N4O
Molecular Weight272.35 g/mol
Exact Mass272.16
IUPAC Name(2R,3R)-2-methyl-N-[1-[3-(1,2,4-triazol-4-yl)phenyl]ethyl]oxolan-3-amine
SMILESCC(N[C@@H]1CCO[C@@H]1C)c1cccc(-n2cnnc2)c1
InChIInChI=1S/C15H20N4O/c1-11(18-15-6-7-20-12(15)2)13-4-3-5-14(8-13)19-9-16-17-10-19/h3-5,8-12,15,18H,6-7H2,1-2H3/t11?,12-,15-/m1/s1
InChIKeyGNEBCDRSLPZWIT-AADWAWOOSA-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

Analyze (2R,3R)-2-methyl-N-[1-[3-(1,2,4-triazol-4-yl)phenyl]ethyl]oxolan-3-amine with MolForge

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Related Compounds

1-Methyl-3-(3-propan-2-yloxypropyl)-1-[1-[4-(1,2,4-triazol-1-yl)phenyl]ethyl]urea
CID 51074664
1-(3-Propan-2-yloxypropyl)-3-[1-[4-(1,2,4-triazol-1-yl)phenyl]ethyl]urea
CID 53517147
1-[1-(2-Methylpropoxy)propan-2-yl]-3-[[3-(1,2,4-triazol-1-yl)phenyl]methyl]urea
CID 72010340
N-[(3S)-5,5-dimethyloxolan-3-yl]-2-[4-(1,2,4-triazol-4-yl)phenyl]acetamide
CID 164642696
1-N-[1-(3,5-difluorophenyl)-1,2,4-triazol-3-yl]-2-fluoro-5-methyl-3-N-[1-(oxolan-2-ylmethyl)piperidin-4-yl]benzene-1,3-diamine
CID 124104965
1-N-[1-(3,5-difluorophenyl)-1,2,4-triazol-3-yl]-5-methyl-3-N-(oxolan-3-yl)benzene-1,3-diamine
CID 124105606
1-N-[1-(3,5-difluorophenyl)-1,2,4-triazol-3-yl]-2-fluoro-5-methyl-3-N-(oxolan-3-yl)benzene-1,3-diamine
CID 124105703
3-N-[1-(3,5-difluorophenyl)-1,2,4-triazol-3-yl]-4-fluoro-5-methyl-1-N-(oxolan-3-yl)benzene-1,3-diamine
CID 124105880
1-N-[1-(3,5-difluorophenyl)-1,2,4-triazol-3-yl]-5-methyl-3-N-[1-(oxolan-2-ylmethyl)piperidin-4-yl]benzene-1,3-diamine
CID 124105935
(3S,6S)-6-ethenyl-3-[4-(1,2,4-triazol-1-yl)phenyl]-1,4-oxazepane
CID 138970662
2-(2,6-dimethylmorpholin-4-yl)-N-[[3-fluoro-4-(1,2,4-triazol-1-yl)phenyl]methyl]propan-1-amine
CID 53506744
N-[[3-fluoro-4-(1,2,4-triazol-1-yl)phenyl]methyl]-1-(4-methylmorpholin-2-yl)methanamine
CID 53551619

Frequently Asked Questions

What is the IUPAC name of (2R,3R)-2-methyl-N-[1-[3-(1,2,4-triazol-4-yl)phenyl]ethyl]oxolan-3-amine?
The IUPAC name of (2R,3R)-2-methyl-N-[1-[3-(1,2,4-triazol-4-yl)phenyl]ethyl]oxolan-3-amine (CID 138055540) is (2R,3R)-2-methyl-N-[1-[3-(1,2,4-triazol-4-yl)phenyl]ethyl]oxolan-3-amine.
What is the SMILES notation for (2R,3R)-2-methyl-N-[1-[3-(1,2,4-triazol-4-yl)phenyl]ethyl]oxolan-3-amine?
The canonical SMILES for (2R,3R)-2-methyl-N-[1-[3-(1,2,4-triazol-4-yl)phenyl]ethyl]oxolan-3-amine is CC(N[C@@H]1CCO[C@@H]1C)c1cccc(-n2cnnc2)c1.
What is the InChIKey of (2R,3R)-2-methyl-N-[1-[3-(1,2,4-triazol-4-yl)phenyl]ethyl]oxolan-3-amine?
The InChIKey is GNEBCDRSLPZWIT-AADWAWOOSA-N. The full InChI is InChI=1S/C15H20N4O/c1-11(18-15-6-7-20-12(15)2)13-4-3-5-14(8-13)19-9-16-17-10-19/h3-5,8-12,15,18H,6-7H2,1-2H3/t11?,12-,15-/m1/s1.
What are the key properties of (2R,3R)-2-methyl-N-[1-[3-(1,2,4-triazol-4-yl)phenyl]ethyl]oxolan-3-amine?
(2R,3R)-2-methyl-N-[1-[3-(1,2,4-triazol-4-yl)phenyl]ethyl]oxolan-3-amine 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 (2R,3R)-2-methyl-N-[1-[3-(1,2,4-triazol-4-yl)phenyl]ethyl]oxolan-3-amine is sourced from PubChem (CID 138055540), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).