1-(1,3-dioxolan-2-yl)-3-(2-ethyl-1,2,4-triazol-3-yl)-N-propylpropan-2-amine

C13H24N4O2 — CID 103546912

IUPAC1-(1,3-dioxolan-2-yl)-3-(2-ethyl-1,2,4-triazol-3-yl)-N-propylpropan-2-amine
SMILESCCCNC(Cc1ncnn1CC)CC1OCCO1
InChIInChI=1S/C13H24N4O2/c1-3-5-14-11(9-13-18-6-7-19-13)8-12-15-10-16-17(12)4-2/h10-11,13-14H,3-9H2,1-2H3
InChIKeyFPXBALKNOXTELP-UHFFFAOYSA-N
MW268.36 g/mol
LogP0.97
Rot. Bonds8

About 1-(1,3-dioxolan-2-yl)-3-(2-ethyl-1,2,4-triazol-3-yl)-N-propylpropan-2-amine

1-(1,3-dioxolan-2-yl)-3-(2-ethyl-1,2,4-triazol-3-yl)-N-propylpropan-2-amine (PubChem CID 103546912) has the molecular formula C13H24N4O2 and a molecular weight of 268.36 g/mol. Its IUPAC name is 1-(1,3-dioxolan-2-yl)-3-(2-ethyl-1,2,4-triazol-3-yl)-N-propylpropan-2-amine.

Molecular Properties

Compound Name1-(1,3-dioxolan-2-yl)-3-(2-ethyl-1,2,4-triazol-3-yl)-N-propylpropan-2-amine
PubChem CID103546912
Molecular FormulaC13H24N4O2
Molecular Weight268.36 g/mol
Exact Mass268.19
IUPAC Name1-(1,3-dioxolan-2-yl)-3-(2-ethyl-1,2,4-triazol-3-yl)-N-propylpropan-2-amine
SMILESCCCNC(Cc1ncnn1CC)CC1OCCO1
InChIInChI=1S/C13H24N4O2/c1-3-5-14-11(9-13-18-6-7-19-13)8-12-15-10-16-17(12)4-2/h10-11,13-14H,3-9H2,1-2H3
InChIKeyFPXBALKNOXTELP-UHFFFAOYSA-N
XLogP0.97
TPSA61.20 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500268.36
LogP ≤ 50.97
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze 1-(1,3-dioxolan-2-yl)-3-(2-ethyl-1,2,4-triazol-3-yl)-N-propylpropan-2-amine with MolForge

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Related Compounds

1-(1,3-dioxolan-2-yl)-3-(2-ethyl-1,2,4-triazol-3-yl)propan-2-amine
CID 103544076
1-(1,3-dioxolan-2-yl)-N-ethyl-3-[2-(2-methylpropyl)-1,2,4-triazol-3-yl]propan-2-amine
CID 103546897
1-cyclobutyl-N-ethyl-3-(2-ethyl-1,2,4-triazol-3-yl)propan-2-amine
CID 103169001
1-(2-ethyl-1,2,4-triazol-3-yl)-N-propyl-3-thiophen-3-ylpropan-2-amine
CID 105161824
N-[2-(2-ethyl-1,2,4-triazol-3-yl)-1-(2,4,5-trimethyloxolan-3-yl)ethyl]propan-1-amine
CID 105002168
1-(1,3-dioxolan-2-yl)-N-propylbutan-2-amine
CID 103546362
N-[1-[1-[(2-ethyl-1,2,4-triazol-3-yl)methyl]cyclopropyl]ethyl]propan-1-amine
CID 106798051
1-(3,5-difluorophenyl)-3-(1,3-dioxolan-2-yl)-N-propylpropan-2-amine
CID 103547300
[1-cycloheptyl-3-(2-ethyl-1,2,4-triazol-3-yl)propan-2-yl]hydrazine
CID 105318460
N-propyl-1-(2-propyl-1,2,4-triazol-3-yl)nonan-2-amine
CID 105003076
1-[2-(2-methylpropyl)-1,2,4-triazol-3-yl]-4-propoxy-N-propylbutan-2-amine
CID 105160794
1-(1-butan-2-ylpyrazol-3-yl)-3-(1,3-dioxolan-2-yl)-N-propylpropan-2-amine
CID 103546820

Frequently Asked Questions

What is the IUPAC name of 1-(1,3-dioxolan-2-yl)-3-(2-ethyl-1,2,4-triazol-3-yl)-N-propylpropan-2-amine?
The IUPAC name of 1-(1,3-dioxolan-2-yl)-3-(2-ethyl-1,2,4-triazol-3-yl)-N-propylpropan-2-amine (CID 103546912) is 1-(1,3-dioxolan-2-yl)-3-(2-ethyl-1,2,4-triazol-3-yl)-N-propylpropan-2-amine.
What is the SMILES notation for 1-(1,3-dioxolan-2-yl)-3-(2-ethyl-1,2,4-triazol-3-yl)-N-propylpropan-2-amine?
The canonical SMILES for 1-(1,3-dioxolan-2-yl)-3-(2-ethyl-1,2,4-triazol-3-yl)-N-propylpropan-2-amine is CCCNC(Cc1ncnn1CC)CC1OCCO1.
What is the InChIKey of 1-(1,3-dioxolan-2-yl)-3-(2-ethyl-1,2,4-triazol-3-yl)-N-propylpropan-2-amine?
The InChIKey is FPXBALKNOXTELP-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H24N4O2/c1-3-5-14-11(9-13-18-6-7-19-13)8-12-15-10-16-17(12)4-2/h10-11,13-14H,3-9H2,1-2H3.
What are the key properties of 1-(1,3-dioxolan-2-yl)-3-(2-ethyl-1,2,4-triazol-3-yl)-N-propylpropan-2-amine?
1-(1,3-dioxolan-2-yl)-3-(2-ethyl-1,2,4-triazol-3-yl)-N-propylpropan-2-amine has a molecular weight of 268.36 g/mol, XLogP of 0.97, 8 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(1,3-dioxolan-2-yl)-3-(2-ethyl-1,2,4-triazol-3-yl)-N-propylpropan-2-amine is sourced from PubChem (CID 103546912), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).