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

C13H24N4O — CID 103986800

IUPAC1-[2-(2-methylpropyl)-1,2,4-triazol-3-yl]-3-(oxolan-3-yl)propan-2-amine
SMILESCC(C)Cn1ncnc1CC(N)CC1CCOC1
InChIInChI=1S/C13H24N4O/c1-10(2)7-17-13(15-9-16-17)6-12(14)5-11-3-4-18-8-11/h9-12H,3-8,14H2,1-2H3
InChIKeyYFULUKSKDIEDNV-UHFFFAOYSA-N
MW252.36 g/mol
LogP1.23
Rot. Bonds6

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

1-[2-(2-methylpropyl)-1,2,4-triazol-3-yl]-3-(oxolan-3-yl)propan-2-amine (PubChem CID 103986800) has the molecular formula C13H24N4O and a molecular weight of 252.36 g/mol. Its IUPAC name is 1-[2-(2-methylpropyl)-1,2,4-triazol-3-yl]-3-(oxolan-3-yl)propan-2-amine.

Molecular Properties

Compound Name1-[2-(2-methylpropyl)-1,2,4-triazol-3-yl]-3-(oxolan-3-yl)propan-2-amine
PubChem CID103986800
Molecular FormulaC13H24N4O
Molecular Weight252.36 g/mol
Exact Mass252.20
IUPAC Name1-[2-(2-methylpropyl)-1,2,4-triazol-3-yl]-3-(oxolan-3-yl)propan-2-amine
SMILESCC(C)Cn1ncnc1CC(N)CC1CCOC1
InChIInChI=1S/C13H24N4O/c1-10(2)7-17-13(15-9-16-17)6-12(14)5-11-3-4-18-8-11/h9-12H,3-8,14H2,1-2H3
InChIKeyYFULUKSKDIEDNV-UHFFFAOYSA-N
XLogP1.23
TPSA65.96 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 ≤ 51.23
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-ol
CID 113362031
N-methyl-1-[2-(2-methylpropyl)-1,2,4-triazol-3-yl]-3-(oxolan-3-yl)propan-2-amine
CID 103987063
1-(oxolan-3-yl)-3-(2-propan-2-yl-1,2,4-triazol-3-yl)propan-2-amine
CID 103986790
1-cyclohexyl-3-[2-(2-methylpropyl)-1,2,4-triazol-3-yl]propan-2-amine
CID 104999912
1-[2-(2-methylpropyl)-1,2,4-triazol-3-yl]-4-(oxolan-2-yl)butan-2-amine
CID 104999994
5,5-dimethyl-1-[2-(2-methylpropyl)-1,2,4-triazol-3-yl]hexan-2-amine
CID 114211589
5-ethoxy-1-[2-(2-methylpropyl)-1,2,4-triazol-3-yl]pentan-2-amine
CID 105160833
1-(1,3-dioxolan-2-yl)-3-(2-ethyl-1,2,4-triazol-3-yl)propan-2-amine
CID 103544076
1-(8-methyl-8-azabicyclo[3.2.1]octan-3-yl)-2-[2-(2-methylpropyl)-1,2,4-triazol-3-yl]ethanamine
CID 115998010
1-(1-ethylbenzimidazol-2-yl)-3-(oxolan-3-yl)propan-2-amine
CID 103986866
1-(4-ethoxyoxan-4-yl)-2-[2-(2-methylpropyl)-1,2,4-triazol-3-yl]ethanamine
CID 116765435
1-cyclohexyl-N-methyl-3-[2-(2-methylpropyl)-1,2,4-triazol-3-yl]propan-2-amine
CID 104999870

Frequently Asked Questions

What is the IUPAC name of 1-[2-(2-methylpropyl)-1,2,4-triazol-3-yl]-3-(oxolan-3-yl)propan-2-amine?
The IUPAC name of 1-[2-(2-methylpropyl)-1,2,4-triazol-3-yl]-3-(oxolan-3-yl)propan-2-amine (CID 103986800) is 1-[2-(2-methylpropyl)-1,2,4-triazol-3-yl]-3-(oxolan-3-yl)propan-2-amine.
What is the SMILES notation for 1-[2-(2-methylpropyl)-1,2,4-triazol-3-yl]-3-(oxolan-3-yl)propan-2-amine?
The canonical SMILES for 1-[2-(2-methylpropyl)-1,2,4-triazol-3-yl]-3-(oxolan-3-yl)propan-2-amine is CC(C)Cn1ncnc1CC(N)CC1CCOC1.
What is the InChIKey of 1-[2-(2-methylpropyl)-1,2,4-triazol-3-yl]-3-(oxolan-3-yl)propan-2-amine?
The InChIKey is YFULUKSKDIEDNV-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H24N4O/c1-10(2)7-17-13(15-9-16-17)6-12(14)5-11-3-4-18-8-11/h9-12H,3-8,14H2,1-2H3.
What are the key properties of 1-[2-(2-methylpropyl)-1,2,4-triazol-3-yl]-3-(oxolan-3-yl)propan-2-amine?
1-[2-(2-methylpropyl)-1,2,4-triazol-3-yl]-3-(oxolan-3-yl)propan-2-amine has a molecular weight of 252.36 g/mol, XLogP of 1.23, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-(2-methylpropyl)-1,2,4-triazol-3-yl]-3-(oxolan-3-yl)propan-2-amine is sourced from PubChem (CID 103986800), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).