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

C12H22N4O — CID 103986790

IUPAC1-(oxolan-3-yl)-3-(2-propan-2-yl-1,2,4-triazol-3-yl)propan-2-amine
SMILESCC(C)n1ncnc1CC(N)CC1CCOC1
InChIInChI=1S/C12H22N4O/c1-9(2)16-12(14-8-15-16)6-11(13)5-10-3-4-17-7-10/h8-11H,3-7,13H2,1-2H3
InChIKeyIRLFBNCMDDNIEN-UHFFFAOYSA-N
MW238.33 g/mol
LogP1.16
Rot. Bonds5

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

1-(oxolan-3-yl)-3-(2-propan-2-yl-1,2,4-triazol-3-yl)propan-2-amine (PubChem CID 103986790) has the molecular formula C12H22N4O and a molecular weight of 238.33 g/mol. Its IUPAC name is 1-(oxolan-3-yl)-3-(2-propan-2-yl-1,2,4-triazol-3-yl)propan-2-amine.

Molecular Properties

Compound Name1-(oxolan-3-yl)-3-(2-propan-2-yl-1,2,4-triazol-3-yl)propan-2-amine
PubChem CID103986790
Molecular FormulaC12H22N4O
Molecular Weight238.33 g/mol
Exact Mass238.18
IUPAC Name1-(oxolan-3-yl)-3-(2-propan-2-yl-1,2,4-triazol-3-yl)propan-2-amine
SMILESCC(C)n1ncnc1CC(N)CC1CCOC1
InChIInChI=1S/C12H22N4O/c1-9(2)16-12(14-8-15-16)6-11(13)5-10-3-4-17-7-10/h8-11H,3-7,13H2,1-2H3
InChIKeyIRLFBNCMDDNIEN-UHFFFAOYSA-N
XLogP1.16
TPSA65.96 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500238.33
LogP ≤ 51.16
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

1-[2-(2-methylpropyl)-1,2,4-triazol-3-yl]-3-(oxolan-3-yl)propan-2-amine
CID 103986800
1-(1,1-dioxothiolan-3-yl)-3-(2-propan-2-yl-1,2,4-triazol-3-yl)propan-2-amine
CID 105160379
1-[2-(2-methylpropyl)-1,2,4-triazol-3-yl]-3-(oxolan-3-yl)propan-2-ol
CID 113362031
2-[(3R)-oxolan-3-yl]-N-(2-propan-2-yl-1,2,4-triazol-3-yl)acetamide
CID 128910466
1-cyclobutyl-3-(2-propan-2-yl-1,2,4-triazol-3-yl)propan-2-ol
CID 103170087
N-methyl-1-[2-(2-methylpropyl)-1,2,4-triazol-3-yl]-3-(oxolan-3-yl)propan-2-amine
CID 103987063
3-cyclopropyl-1-(2-propan-2-yl-1,2,4-triazol-3-yl)butan-2-ol
CID 115813961
1-(1-ethylbenzimidazol-2-yl)-3-(oxolan-3-yl)propan-2-amine
CID 103986866
1-cyclobutyl-N-methyl-3-(2-propan-2-yl-1,2,4-triazol-3-yl)propan-2-amine
CID 103168954
1,1,1-trifluoro-3-(2-propan-2-yl-1,2,4-triazol-3-yl)propan-2-amine
CID 104999487
[1-(oxolan-2-yl)-2-(2-propan-2-yl-1,2,4-triazol-3-yl)ethyl]hydrazine
CID 105229160
1-cyclohexyl-3-[2-(2-methylpropyl)-1,2,4-triazol-3-yl]propan-2-amine
CID 104999912

Frequently Asked Questions

What is the IUPAC name of 1-(oxolan-3-yl)-3-(2-propan-2-yl-1,2,4-triazol-3-yl)propan-2-amine?
The IUPAC name of 1-(oxolan-3-yl)-3-(2-propan-2-yl-1,2,4-triazol-3-yl)propan-2-amine (CID 103986790) is 1-(oxolan-3-yl)-3-(2-propan-2-yl-1,2,4-triazol-3-yl)propan-2-amine.
What is the SMILES notation for 1-(oxolan-3-yl)-3-(2-propan-2-yl-1,2,4-triazol-3-yl)propan-2-amine?
The canonical SMILES for 1-(oxolan-3-yl)-3-(2-propan-2-yl-1,2,4-triazol-3-yl)propan-2-amine is CC(C)n1ncnc1CC(N)CC1CCOC1.
What is the InChIKey of 1-(oxolan-3-yl)-3-(2-propan-2-yl-1,2,4-triazol-3-yl)propan-2-amine?
The InChIKey is IRLFBNCMDDNIEN-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H22N4O/c1-9(2)16-12(14-8-15-16)6-11(13)5-10-3-4-17-7-10/h8-11H,3-7,13H2,1-2H3.
What are the key properties of 1-(oxolan-3-yl)-3-(2-propan-2-yl-1,2,4-triazol-3-yl)propan-2-amine?
1-(oxolan-3-yl)-3-(2-propan-2-yl-1,2,4-triazol-3-yl)propan-2-amine has a molecular weight of 238.33 g/mol, XLogP of 1.16, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(oxolan-3-yl)-3-(2-propan-2-yl-1,2,4-triazol-3-yl)propan-2-amine is sourced from PubChem (CID 103986790), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).