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

C13H26N4O — CID 160780508

IUPACN-propan-2-yloxan-4-amine;4-propan-2-yl-1,2,4-triazole
SMILESCC(C)NC1CCOCC1.CC(C)n1cnnc1
InChIInChI=1S/C8H17NO.C5H9N3/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
InChIKeySAMYNKAQFDBYSS-UHFFFAOYSA-N
MW254.38 g/mol
LogP2.02
Rot. Bonds3

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

N-propan-2-yloxan-4-amine;4-propan-2-yl-1,2,4-triazole (PubChem CID 160780508) has the molecular formula C13H26N4O and a molecular weight of 254.38 g/mol. Its IUPAC name is N-propan-2-yloxan-4-amine;4-propan-2-yl-1,2,4-triazole.

Molecular Properties

Compound NameN-propan-2-yloxan-4-amine;4-propan-2-yl-1,2,4-triazole
PubChem CID160780508
Molecular FormulaC13H26N4O
Molecular Weight254.38 g/mol
Exact Mass254.21
IUPAC NameN-propan-2-yloxan-4-amine;4-propan-2-yl-1,2,4-triazole
SMILESCC(C)NC1CCOCC1.CC(C)n1cnnc1
InChIInChI=1S/C8H17NO.C5H9N3/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
InChIKeySAMYNKAQFDBYSS-UHFFFAOYSA-N
XLogP2.02
TPSA51.97 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500254.38
LogP ≤ 52.02
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-propan-2-yloxan-4-amine;4-propan-2-yl-1,2,4-triazole?
The IUPAC name of N-propan-2-yloxan-4-amine;4-propan-2-yl-1,2,4-triazole (CID 160780508) is N-propan-2-yloxan-4-amine;4-propan-2-yl-1,2,4-triazole.
What is the SMILES notation for N-propan-2-yloxan-4-amine;4-propan-2-yl-1,2,4-triazole?
The canonical SMILES for N-propan-2-yloxan-4-amine;4-propan-2-yl-1,2,4-triazole is CC(C)NC1CCOCC1.CC(C)n1cnnc1.
What is the InChIKey of N-propan-2-yloxan-4-amine;4-propan-2-yl-1,2,4-triazole?
The InChIKey is SAMYNKAQFDBYSS-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H17NO.C5H9N3/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.
What are the key properties of N-propan-2-yloxan-4-amine;4-propan-2-yl-1,2,4-triazole?
N-propan-2-yloxan-4-amine;4-propan-2-yl-1,2,4-triazole has a molecular weight of 254.38 g/mol, XLogP of 2.02, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-propan-2-yloxan-4-amine;4-propan-2-yl-1,2,4-triazole is sourced from PubChem (CID 160780508), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).