2-methyl-5-(5-methyloxolan-3-yl)-1,2,4-triazol-3-amine

C8H14N4O — CID 114824901

IUPAC2-methyl-5-(5-methyloxolan-3-yl)-1,2,4-triazol-3-amine
SMILESCC1CC(c2nc(N)n(C)n2)CO1
InChIInChI=1S/C8H14N4O/c1-5-3-6(4-13-5)7-10-8(9)12(2)11-7/h5-6H,3-4H2,1-2H3,(H2,9,10,11)
InChIKeyAGWSVBAIXUUZMM-UHFFFAOYSA-N
MW182.23 g/mol
LogP0.29
Rot. Bonds1

About 2-methyl-5-(5-methyloxolan-3-yl)-1,2,4-triazol-3-amine

2-methyl-5-(5-methyloxolan-3-yl)-1,2,4-triazol-3-amine (PubChem CID 114824901) has the molecular formula C8H14N4O and a molecular weight of 182.23 g/mol. Its IUPAC name is 2-methyl-5-(5-methyloxolan-3-yl)-1,2,4-triazol-3-amine.

Molecular Properties

Compound Name2-methyl-5-(5-methyloxolan-3-yl)-1,2,4-triazol-3-amine
PubChem CID114824901
Molecular FormulaC8H14N4O
Molecular Weight182.23 g/mol
Exact Mass182.12
IUPAC Name2-methyl-5-(5-methyloxolan-3-yl)-1,2,4-triazol-3-amine
SMILESCC1CC(c2nc(N)n(C)n2)CO1
InChIInChI=1S/C8H14N4O/c1-5-3-6(4-13-5)7-10-8(9)12(2)11-7/h5-6H,3-4H2,1-2H3,(H2,9,10,11)
InChIKeyAGWSVBAIXUUZMM-UHFFFAOYSA-N
XLogP0.29
TPSA65.96 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500182.23
LogP ≤ 50.29
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

5-(4-tert-butylcyclohexyl)-2-methyl-1,2,4-triazol-3-amine
CID 104605414
5-[4-(aminomethyl)cyclohexyl]-2-methyl-1,2,4-triazol-3-amine
CID 104605683
5-(4,4-difluorocyclohexyl)-2-methyl-1,2,4-triazol-3-amine
CID 104605344
2-(5-amino-1-methyl-1,2,4-triazol-3-yl)cyclobutane-1-carboxylic acid
CID 131097861
5-cyclopentyl-3-(5-methyloxolan-3-yl)-1H-1,2,4-triazole
CID 114826027
5-ethyl-3-(5-methyloxolan-3-yl)-1H-1,2,4-triazole
CID 114826023
4-amino-3-(5-methyloxolan-3-yl)-1H-1,2,4-triazole-5-thione
CID 114825995
5-(4-amino-2,2,3-trimethylcyclohexyl)-2-methyl-1,2,4-triazol-3-amine
CID 102631002
3-chloro-5-(5-methyloxolan-3-yl)-1,2,4-thiadiazole
CID 102944071
2-(5-amino-1-methyl-1,2,4-triazol-3-yl)cyclopentane-1-carboxylic acid
CID 104605775
2-methyl-5-[(2S)-piperidin-2-yl]-1,2,4-triazol-3-amine
CID 104915236
5-(4-ethylpiperidin-2-yl)-2-methyl-1,2,4-triazol-3-amine
CID 114431944

Frequently Asked Questions

What is the IUPAC name of 2-methyl-5-(5-methyloxolan-3-yl)-1,2,4-triazol-3-amine?
The IUPAC name of 2-methyl-5-(5-methyloxolan-3-yl)-1,2,4-triazol-3-amine (CID 114824901) is 2-methyl-5-(5-methyloxolan-3-yl)-1,2,4-triazol-3-amine.
What is the SMILES notation for 2-methyl-5-(5-methyloxolan-3-yl)-1,2,4-triazol-3-amine?
The canonical SMILES for 2-methyl-5-(5-methyloxolan-3-yl)-1,2,4-triazol-3-amine is CC1CC(c2nc(N)n(C)n2)CO1.
What is the InChIKey of 2-methyl-5-(5-methyloxolan-3-yl)-1,2,4-triazol-3-amine?
The InChIKey is AGWSVBAIXUUZMM-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H14N4O/c1-5-3-6(4-13-5)7-10-8(9)12(2)11-7/h5-6H,3-4H2,1-2H3,(H2,9,10,11).
What are the key properties of 2-methyl-5-(5-methyloxolan-3-yl)-1,2,4-triazol-3-amine?
2-methyl-5-(5-methyloxolan-3-yl)-1,2,4-triazol-3-amine has a molecular weight of 182.23 g/mol, XLogP of 0.29, 1 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-5-(5-methyloxolan-3-yl)-1,2,4-triazol-3-amine is sourced from PubChem (CID 114824901), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).