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

C10H18N4O2 — CID 103544076

IUPAC1-(1,3-dioxolan-2-yl)-3-(2-ethyl-1,2,4-triazol-3-yl)propan-2-amine
SMILESCCn1ncnc1CC(N)CC1OCCO1
InChIInChI=1S/C10H18N4O2/c1-2-14-9(12-7-13-14)5-8(11)6-10-15-3-4-16-10/h7-8,10H,2-6,11H2,1H3
InChIKeyGVVYBKJQHNTFLU-UHFFFAOYSA-N
MW226.28 g/mol
LogP-0.07
Rot. Bonds5

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

1-(1,3-dioxolan-2-yl)-3-(2-ethyl-1,2,4-triazol-3-yl)propan-2-amine (PubChem CID 103544076) has the molecular formula C10H18N4O2 and a molecular weight of 226.28 g/mol. Its IUPAC name is 1-(1,3-dioxolan-2-yl)-3-(2-ethyl-1,2,4-triazol-3-yl)propan-2-amine.

Molecular Properties

Compound Name1-(1,3-dioxolan-2-yl)-3-(2-ethyl-1,2,4-triazol-3-yl)propan-2-amine
PubChem CID103544076
Molecular FormulaC10H18N4O2
Molecular Weight226.28 g/mol
Exact Mass226.14
IUPAC Name1-(1,3-dioxolan-2-yl)-3-(2-ethyl-1,2,4-triazol-3-yl)propan-2-amine
SMILESCCn1ncnc1CC(N)CC1OCCO1
InChIInChI=1S/C10H18N4O2/c1-2-14-9(12-7-13-14)5-8(11)6-10-15-3-4-16-10/h7-8,10H,2-6,11H2,1H3
InChIKeyGVVYBKJQHNTFLU-UHFFFAOYSA-N
XLogP-0.07
TPSA75.19 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500226.28
LogP ≤ 5-0.07
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

1-(1,3-dioxolan-2-yl)-3-(2-ethyl-1,2,4-triazol-3-yl)-N-propylpropan-2-amine
CID 103546912
(2R)-1-(2-ethyl-1,2,4-triazol-3-yl)propan-2-amine
CID 94552952
1-(2-ethyl-1,2,4-triazol-3-yl)octan-2-amine
CID 105002075
1-(2-ethyl-1,2,4-triazol-3-yl)-3-methyl-3-morpholin-4-ylbutan-2-amine
CID 79052076
1-(1,3-dioxolan-2-yl)-N-ethyl-3-[2-(2-methylpropyl)-1,2,4-triazol-3-yl]propan-2-amine
CID 103546897
1-[2-(2-methylpropyl)-1,2,4-triazol-3-yl]-3-(oxolan-3-yl)propan-2-amine
CID 103986800
1-(4-bromophenyl)sulfanyl-3-(2-ethyl-1,2,4-triazol-3-yl)propan-2-amine
CID 66056088
2-(2-ethyl-1,2,4-triazol-3-yl)-1-(2-methylcyclopentyl)ethanamine
CID 107189682
2-(2-ethyl-1,2,4-triazol-3-yl)-1-(3-tricyclo[3.2.1.02,4]octanyl)ethanamine
CID 114097376
2-(2-ethyl-1,2,4-triazol-3-yl)-1-(4-propylmorpholin-2-yl)ethanol
CID 79669792
[1-cycloheptyl-3-(2-ethyl-1,2,4-triazol-3-yl)propan-2-yl]hydrazine
CID 105318460
1-(3,4-difluorophenyl)-3-(2-ethyl-1,2,4-triazol-3-yl)propan-2-amine
CID 105002128

Frequently Asked Questions

What is the IUPAC name of 1-(1,3-dioxolan-2-yl)-3-(2-ethyl-1,2,4-triazol-3-yl)propan-2-amine?
The IUPAC name of 1-(1,3-dioxolan-2-yl)-3-(2-ethyl-1,2,4-triazol-3-yl)propan-2-amine (CID 103544076) is 1-(1,3-dioxolan-2-yl)-3-(2-ethyl-1,2,4-triazol-3-yl)propan-2-amine.
What is the SMILES notation for 1-(1,3-dioxolan-2-yl)-3-(2-ethyl-1,2,4-triazol-3-yl)propan-2-amine?
The canonical SMILES for 1-(1,3-dioxolan-2-yl)-3-(2-ethyl-1,2,4-triazol-3-yl)propan-2-amine is CCn1ncnc1CC(N)CC1OCCO1.
What is the InChIKey of 1-(1,3-dioxolan-2-yl)-3-(2-ethyl-1,2,4-triazol-3-yl)propan-2-amine?
The InChIKey is GVVYBKJQHNTFLU-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H18N4O2/c1-2-14-9(12-7-13-14)5-8(11)6-10-15-3-4-16-10/h7-8,10H,2-6,11H2,1H3.
What are the key properties of 1-(1,3-dioxolan-2-yl)-3-(2-ethyl-1,2,4-triazol-3-yl)propan-2-amine?
1-(1,3-dioxolan-2-yl)-3-(2-ethyl-1,2,4-triazol-3-yl)propan-2-amine has a molecular weight of 226.28 g/mol, XLogP of -0.07, 5 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)propan-2-amine is sourced from PubChem (CID 103544076), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).