methane;N-propan-2-yloxan-4-amine;4-propan-2-yl-1,2,4-triazole

C14H30N4O — CID 161190868

IUPACmethane;N-propan-2-yloxan-4-amine;4-propan-2-yl-1,2,4-triazole
SMILESC.CC(C)NC1CCOCC1.CC(C)n1cnnc1
InChIInChI=1S/C8H17NO.C5H9N3.CH4/c1-7(2)9-8-3-5-10-6-4-8;1-5(2)8-3-6-7-4-8;/h7-9H,3-6H2,1-2H3;3-5H,1-2H3;1H4
InChIKeyUTRXUZLDNCWZHS-UHFFFAOYSA-N
MW270.42 g/mol
LogP2.66
Rot. Bonds3

About methane;N-propan-2-yloxan-4-amine;4-propan-2-yl-1,2,4-triazole

methane;N-propan-2-yloxan-4-amine;4-propan-2-yl-1,2,4-triazole (PubChem CID 161190868) has the molecular formula C14H30N4O and a molecular weight of 270.42 g/mol. Its IUPAC name is methane;N-propan-2-yloxan-4-amine;4-propan-2-yl-1,2,4-triazole.

Molecular Properties

Compound Namemethane;N-propan-2-yloxan-4-amine;4-propan-2-yl-1,2,4-triazole
PubChem CID161190868
Molecular FormulaC14H30N4O
Molecular Weight270.42 g/mol
Exact Mass270.24
IUPAC Namemethane;N-propan-2-yloxan-4-amine;4-propan-2-yl-1,2,4-triazole
SMILESC.CC(C)NC1CCOCC1.CC(C)n1cnnc1
InChIInChI=1S/C8H17NO.C5H9N3.CH4/c1-7(2)9-8-3-5-10-6-4-8;1-5(2)8-3-6-7-4-8;/h7-9H,3-6H2,1-2H3;3-5H,1-2H3;1H4
InChIKeyUTRXUZLDNCWZHS-UHFFFAOYSA-N
XLogP2.66
TPSA51.97 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500270.42
LogP ≤ 52.66
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze methane;N-propan-2-yloxan-4-amine;4-propan-2-yl-1,2,4-triazole with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of methane;N-propan-2-yloxan-4-amine;4-propan-2-yl-1,2,4-triazole?
The IUPAC name of methane;N-propan-2-yloxan-4-amine;4-propan-2-yl-1,2,4-triazole (CID 161190868) is methane;N-propan-2-yloxan-4-amine;4-propan-2-yl-1,2,4-triazole.
What is the SMILES notation for methane;N-propan-2-yloxan-4-amine;4-propan-2-yl-1,2,4-triazole?
The canonical SMILES for methane;N-propan-2-yloxan-4-amine;4-propan-2-yl-1,2,4-triazole is C.CC(C)NC1CCOCC1.CC(C)n1cnnc1.
What is the InChIKey of methane;N-propan-2-yloxan-4-amine;4-propan-2-yl-1,2,4-triazole?
The InChIKey is UTRXUZLDNCWZHS-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H17NO.C5H9N3.CH4/c1-7(2)9-8-3-5-10-6-4-8;1-5(2)8-3-6-7-4-8;/h7-9H,3-6H2,1-2H3;3-5H,1-2H3;1H4.
What are the key properties of methane;N-propan-2-yloxan-4-amine;4-propan-2-yl-1,2,4-triazole?
methane;N-propan-2-yloxan-4-amine;4-propan-2-yl-1,2,4-triazole has a molecular weight of 270.42 g/mol, XLogP of 2.66, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for methane;N-propan-2-yloxan-4-amine;4-propan-2-yl-1,2,4-triazole is sourced from PubChem (CID 161190868), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).