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

C9H16N4O — CID 66249009

IUPAC4-(2,5-dimethyl-1,2,4-triazol-3-yl)-4-methyloxolan-3-amine
SMILESCc1nc(C2(C)COCC2N)n(C)n1
InChIInChI=1S/C9H16N4O/c1-6-11-8(13(3)12-6)9(2)5-14-4-7(9)10/h7H,4-5,10H2,1-3H3
InChIKeyBWFGITHDVMUIAF-UHFFFAOYSA-N
MW196.25 g/mol
LogP-0.26
Rot. Bonds1

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

4-(2,5-dimethyl-1,2,4-triazol-3-yl)-4-methyloxolan-3-amine (PubChem CID 66249009) has the molecular formula C9H16N4O and a molecular weight of 196.25 g/mol. Its IUPAC name is 4-(2,5-dimethyl-1,2,4-triazol-3-yl)-4-methyloxolan-3-amine.

Molecular Properties

Compound Name4-(2,5-dimethyl-1,2,4-triazol-3-yl)-4-methyloxolan-3-amine
PubChem CID66249009
Molecular FormulaC9H16N4O
Molecular Weight196.25 g/mol
Exact Mass196.13
IUPAC Name4-(2,5-dimethyl-1,2,4-triazol-3-yl)-4-methyloxolan-3-amine
SMILESCc1nc(C2(C)COCC2N)n(C)n1
InChIInChI=1S/C9H16N4O/c1-6-11-8(13(3)12-6)9(2)5-14-4-7(9)10/h7H,4-5,10H2,1-3H3
InChIKeyBWFGITHDVMUIAF-UHFFFAOYSA-N
XLogP-0.26
TPSA65.96 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500196.25
LogP ≤ 5-0.26
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 4-(2,5-dimethyl-1,2,4-triazol-3-yl)-4-methyloxolan-3-amine?
The IUPAC name of 4-(2,5-dimethyl-1,2,4-triazol-3-yl)-4-methyloxolan-3-amine (CID 66249009) is 4-(2,5-dimethyl-1,2,4-triazol-3-yl)-4-methyloxolan-3-amine.
What is the SMILES notation for 4-(2,5-dimethyl-1,2,4-triazol-3-yl)-4-methyloxolan-3-amine?
The canonical SMILES for 4-(2,5-dimethyl-1,2,4-triazol-3-yl)-4-methyloxolan-3-amine is Cc1nc(C2(C)COCC2N)n(C)n1.
What is the InChIKey of 4-(2,5-dimethyl-1,2,4-triazol-3-yl)-4-methyloxolan-3-amine?
The InChIKey is BWFGITHDVMUIAF-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H16N4O/c1-6-11-8(13(3)12-6)9(2)5-14-4-7(9)10/h7H,4-5,10H2,1-3H3.
What are the key properties of 4-(2,5-dimethyl-1,2,4-triazol-3-yl)-4-methyloxolan-3-amine?
4-(2,5-dimethyl-1,2,4-triazol-3-yl)-4-methyloxolan-3-amine has a molecular weight of 196.25 g/mol, XLogP of -0.26, 1 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2,5-dimethyl-1,2,4-triazol-3-yl)-4-methyloxolan-3-amine is sourced from PubChem (CID 66249009), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).