N-ethyl-1-(2-methyl-1,2,4-triazol-3-yl)-3-(oxan-2-yl)propan-2-amine

C13H24N4O — CID 113391595

IUPACN-ethyl-1-(2-methyl-1,2,4-triazol-3-yl)-3-(oxan-2-yl)propan-2-amine
SMILESCCNC(Cc1ncnn1C)CC1CCCCO1
InChIInChI=1S/C13H24N4O/c1-3-14-11(8-12-6-4-5-7-18-12)9-13-15-10-16-17(13)2/h10-12,14H,3-9H2,1-2H3
InChIKeyLPKBVYSMKHBPRX-UHFFFAOYSA-N
MW252.36 g/mol
LogP1.29
Rot. Bonds6

About N-ethyl-1-(2-methyl-1,2,4-triazol-3-yl)-3-(oxan-2-yl)propan-2-amine

N-ethyl-1-(2-methyl-1,2,4-triazol-3-yl)-3-(oxan-2-yl)propan-2-amine (PubChem CID 113391595) has the molecular formula C13H24N4O and a molecular weight of 252.36 g/mol. Its IUPAC name is N-ethyl-1-(2-methyl-1,2,4-triazol-3-yl)-3-(oxan-2-yl)propan-2-amine.

Molecular Properties

Compound NameN-ethyl-1-(2-methyl-1,2,4-triazol-3-yl)-3-(oxan-2-yl)propan-2-amine
PubChem CID113391595
Molecular FormulaC13H24N4O
Molecular Weight252.36 g/mol
Exact Mass252.20
IUPAC NameN-ethyl-1-(2-methyl-1,2,4-triazol-3-yl)-3-(oxan-2-yl)propan-2-amine
SMILESCCNC(Cc1ncnn1C)CC1CCCCO1
InChIInChI=1S/C13H24N4O/c1-3-14-11(8-12-6-4-5-7-18-12)9-13-15-10-16-17(13)2/h10-12,14H,3-9H2,1-2H3
InChIKeyLPKBVYSMKHBPRX-UHFFFAOYSA-N
XLogP1.29
TPSA51.97 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500252.36
LogP ≤ 51.29
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

[1-(oxan-2-yl)-3-(2-propyl-1,2,4-triazol-3-yl)propan-2-yl]hydrazine
CID 105267514
N-ethyl-4-(oxan-2-yl)-1-(2-propan-2-yl-1,2,4-triazol-3-yl)butan-2-amine
CID 104999479
N-ethyl-4-(oxolan-2-yl)-1-(2-propyl-1,2,4-triazol-3-yl)butan-2-amine
CID 105002996
1-cyclooctyl-N-ethyl-2-(2-methyl-1,2,4-triazol-3-yl)ethanamine
CID 80611657
1-(5-bromo-3-pyridinyl)-N-ethyl-3-(oxan-2-yl)propan-2-amine
CID 104804014
N-ethyl-1-(5-ethyl-2-pyridinyl)-3-(oxolan-2-yl)propan-2-amine
CID 79748191
N-ethyl-1-(oxolan-2-yl)butan-2-amine
CID 60820573
N-ethyl-4-(1-methylpyrazol-4-yl)-1-(oxolan-2-yl)butan-2-amine
CID 103009231
1-cyclopentyl-N-ethyl-3-(oxolan-2-yl)propan-2-amine
CID 62601705
1-cyclobutyl-N-ethyl-3-(2-ethyl-1,2,4-triazol-3-yl)propan-2-amine
CID 103169001
N-ethyl-1-(5-ethylthiophen-2-yl)-3-(oxolan-2-yl)propan-2-amine
CID 62600752
1-(1,3-dioxolan-2-yl)-N-ethyl-3-[2-(2-methylpropyl)-1,2,4-triazol-3-yl]propan-2-amine
CID 103546897

Frequently Asked Questions

What is the IUPAC name of N-ethyl-1-(2-methyl-1,2,4-triazol-3-yl)-3-(oxan-2-yl)propan-2-amine?
The IUPAC name of N-ethyl-1-(2-methyl-1,2,4-triazol-3-yl)-3-(oxan-2-yl)propan-2-amine (CID 113391595) is N-ethyl-1-(2-methyl-1,2,4-triazol-3-yl)-3-(oxan-2-yl)propan-2-amine.
What is the SMILES notation for N-ethyl-1-(2-methyl-1,2,4-triazol-3-yl)-3-(oxan-2-yl)propan-2-amine?
The canonical SMILES for N-ethyl-1-(2-methyl-1,2,4-triazol-3-yl)-3-(oxan-2-yl)propan-2-amine is CCNC(Cc1ncnn1C)CC1CCCCO1.
What is the InChIKey of N-ethyl-1-(2-methyl-1,2,4-triazol-3-yl)-3-(oxan-2-yl)propan-2-amine?
The InChIKey is LPKBVYSMKHBPRX-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H24N4O/c1-3-14-11(8-12-6-4-5-7-18-12)9-13-15-10-16-17(13)2/h10-12,14H,3-9H2,1-2H3.
What are the key properties of N-ethyl-1-(2-methyl-1,2,4-triazol-3-yl)-3-(oxan-2-yl)propan-2-amine?
N-ethyl-1-(2-methyl-1,2,4-triazol-3-yl)-3-(oxan-2-yl)propan-2-amine has a molecular weight of 252.36 g/mol, XLogP of 1.29, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyl-1-(2-methyl-1,2,4-triazol-3-yl)-3-(oxan-2-yl)propan-2-amine is sourced from PubChem (CID 113391595), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).