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

C10H18N4O — CID 66240501

IUPAC4-(5-methyl-4-propan-2-yl-1,2,4-triazol-3-yl)oxolan-3-amine
SMILESCc1nnc(C2COCC2N)n1C(C)C
InChIInChI=1S/C10H18N4O/c1-6(2)14-7(3)12-13-10(14)8-4-15-5-9(8)11/h6,8-9H,4-5,11H2,1-3H3
InChIKeyYTGXNSQULUDMKS-UHFFFAOYSA-N
MW210.28 g/mol
LogP0.61
Rot. Bonds2

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

4-(5-methyl-4-propan-2-yl-1,2,4-triazol-3-yl)oxolan-3-amine (PubChem CID 66240501) has the molecular formula C10H18N4O and a molecular weight of 210.28 g/mol. Its IUPAC name is 4-(5-methyl-4-propan-2-yl-1,2,4-triazol-3-yl)oxolan-3-amine.

Molecular Properties

Compound Name4-(5-methyl-4-propan-2-yl-1,2,4-triazol-3-yl)oxolan-3-amine
PubChem CID66240501
Molecular FormulaC10H18N4O
Molecular Weight210.28 g/mol
Exact Mass210.15
IUPAC Name4-(5-methyl-4-propan-2-yl-1,2,4-triazol-3-yl)oxolan-3-amine
SMILESCc1nnc(C2COCC2N)n1C(C)C
InChIInChI=1S/C10H18N4O/c1-6(2)14-7(3)12-13-10(14)8-4-15-5-9(8)11/h6,8-9H,4-5,11H2,1-3H3
InChIKeyYTGXNSQULUDMKS-UHFFFAOYSA-N
XLogP0.61
TPSA65.96 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500210.28
LogP ≤ 50.61
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 4-(5-methyl-4-propan-2-yl-1,2,4-triazol-3-yl)oxolan-3-amine?
The IUPAC name of 4-(5-methyl-4-propan-2-yl-1,2,4-triazol-3-yl)oxolan-3-amine (CID 66240501) is 4-(5-methyl-4-propan-2-yl-1,2,4-triazol-3-yl)oxolan-3-amine.
What is the SMILES notation for 4-(5-methyl-4-propan-2-yl-1,2,4-triazol-3-yl)oxolan-3-amine?
The canonical SMILES for 4-(5-methyl-4-propan-2-yl-1,2,4-triazol-3-yl)oxolan-3-amine is Cc1nnc(C2COCC2N)n1C(C)C.
What is the InChIKey of 4-(5-methyl-4-propan-2-yl-1,2,4-triazol-3-yl)oxolan-3-amine?
The InChIKey is YTGXNSQULUDMKS-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H18N4O/c1-6(2)14-7(3)12-13-10(14)8-4-15-5-9(8)11/h6,8-9H,4-5,11H2,1-3H3.
What are the key properties of 4-(5-methyl-4-propan-2-yl-1,2,4-triazol-3-yl)oxolan-3-amine?
4-(5-methyl-4-propan-2-yl-1,2,4-triazol-3-yl)oxolan-3-amine has a molecular weight of 210.28 g/mol, XLogP of 0.61, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(5-methyl-4-propan-2-yl-1,2,4-triazol-3-yl)oxolan-3-amine is sourced from PubChem (CID 66240501), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).