5-(3-tert-butyl-1,2-oxazol-5-yl)-1H-1,2,4-triazol-3-amine

C9H13N5O — CID 58201730

IUPAC5-(3-tert-butyl-1,2-oxazol-5-yl)-1H-1,2,4-triazol-3-amine
SMILESCC(C)(C)c1cc(-c2nc(N)n[nH]2)on1
InChIInChI=1S/C9H13N5O/c1-9(2,3)6-4-5(15-14-6)7-11-8(10)13-12-7/h4H,1-3H3,(H3,10,11,12,13)
InChIKeyXGHXCPMKJPWLEW-UHFFFAOYSA-N
MW207.24 g/mol
LogP1.34
Rot. Bonds1

About 5-(3-tert-butyl-1,2-oxazol-5-yl)-1H-1,2,4-triazol-3-amine

5-(3-tert-butyl-1,2-oxazol-5-yl)-1H-1,2,4-triazol-3-amine (PubChem CID 58201730) has the molecular formula C9H13N5O and a molecular weight of 207.24 g/mol. Its IUPAC name is 5-(3-tert-butyl-1,2-oxazol-5-yl)-1H-1,2,4-triazol-3-amine.

Molecular Properties

Compound Name5-(3-tert-butyl-1,2-oxazol-5-yl)-1H-1,2,4-triazol-3-amine
PubChem CID58201730
Molecular FormulaC9H13N5O
Molecular Weight207.24 g/mol
Exact Mass207.11
IUPAC Name5-(3-tert-butyl-1,2-oxazol-5-yl)-1H-1,2,4-triazol-3-amine
SMILESCC(C)(C)c1cc(-c2nc(N)n[nH]2)on1
InChIInChI=1S/C9H13N5O/c1-9(2,3)6-4-5(15-14-6)7-11-8(10)13-12-7/h4H,1-3H3,(H3,10,11,12,13)
InChIKeyXGHXCPMKJPWLEW-UHFFFAOYSA-N
XLogP1.34
TPSA93.62 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500207.24
LogP ≤ 51.34
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

5-Tert-butyl-3-(3-tert-butyl-1,2-oxazol-5-yl)-1,2,4-oxadiazole
CID 58057082
3-tert-butyl-5-(5-tert-butyl-1H-1,2,4-triazol-3-yl)-1,2-oxazole
CID 58057164
5-(5-methyl-1,2-oxazol-3-yl)-1H-1,2,4-triazol-3-amine
CID 58201683
3,3-dimethyl-1-[3-(5-methyl-1,2-oxazol-3-yl)-1H-1,2,4-triazol-5-yl]butan-2-one
CID 58201713
5-(3-methyl-1,2-oxazol-5-yl)-1H-1,2,4-triazol-3-amine
CID 58201731
3-tert-butyl-5-[5-[2-(oxan-4-ylmethylsulfanyl)propan-2-yl]-1H-1,2,4-triazol-3-yl]-1,2-oxazole
CID 68047082
3-tert-butyl-5-[5-(1-iodoethyl)-1H-1,2,4-triazol-3-yl]-1,2-oxazole
CID 68047214
N-[5-(3-methyl-1,2-oxazol-5-yl)-1H-1,2,4-triazol-3-yl]acetamide
CID 68390188
2-methyl-N-[5-(3-methyl-1,2-oxazol-5-yl)-1H-1,2,4-triazol-3-yl]propanamide
CID 68391506
3-tert-butyl-5-[5-(1,1-diiodoethyl)-1H-1,2,4-triazol-3-yl]-1,2-oxazole
CID 70951686
N-[5-(3-tert-butyl-1,2-oxazol-5-yl)-1H-1,2,4-triazol-3-yl]-2-methyl-2-(oxan-4-ylsulfinyl)propanamide
CID 123643291
3-(3-Tert-butyl-1,2-oxazol-5-yl)-5-methyl-1,2,4-oxadiazole;ethane
CID 143894503

Frequently Asked Questions

What is the IUPAC name of 5-(3-tert-butyl-1,2-oxazol-5-yl)-1H-1,2,4-triazol-3-amine?
The IUPAC name of 5-(3-tert-butyl-1,2-oxazol-5-yl)-1H-1,2,4-triazol-3-amine (CID 58201730) is 5-(3-tert-butyl-1,2-oxazol-5-yl)-1H-1,2,4-triazol-3-amine.
What is the SMILES notation for 5-(3-tert-butyl-1,2-oxazol-5-yl)-1H-1,2,4-triazol-3-amine?
The canonical SMILES for 5-(3-tert-butyl-1,2-oxazol-5-yl)-1H-1,2,4-triazol-3-amine is CC(C)(C)c1cc(-c2nc(N)n[nH]2)on1.
What is the InChIKey of 5-(3-tert-butyl-1,2-oxazol-5-yl)-1H-1,2,4-triazol-3-amine?
The InChIKey is XGHXCPMKJPWLEW-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H13N5O/c1-9(2,3)6-4-5(15-14-6)7-11-8(10)13-12-7/h4H,1-3H3,(H3,10,11,12,13).
What are the key properties of 5-(3-tert-butyl-1,2-oxazol-5-yl)-1H-1,2,4-triazol-3-amine?
5-(3-tert-butyl-1,2-oxazol-5-yl)-1H-1,2,4-triazol-3-amine has a molecular weight of 207.24 g/mol, XLogP of 1.34, 1 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(3-tert-butyl-1,2-oxazol-5-yl)-1H-1,2,4-triazol-3-amine is sourced from PubChem (CID 58201730), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).