4-(5-propan-2-yl-1H-1,2,4-triazol-3-yl)-1,2,5-oxadiazol-3-amine

C7H10N6O — CID 62807498

IUPAC4-(5-propan-2-yl-1H-1,2,4-triazol-3-yl)-1,2,5-oxadiazol-3-amine
SMILESCC(C)c1nc(-c2nonc2N)n[nH]1
InChIInChI=1S/C7H10N6O/c1-3(2)6-9-7(11-10-6)4-5(8)13-14-12-4/h3H,1-2H3,(H2,8,13)(H,9,10,11)
InChIKeyBQUGIYPDXVWQIW-UHFFFAOYSA-N
MW194.20 g/mol
LogP0.56
Rot. Bonds2

About 4-(5-propan-2-yl-1H-1,2,4-triazol-3-yl)-1,2,5-oxadiazol-3-amine

4-(5-propan-2-yl-1H-1,2,4-triazol-3-yl)-1,2,5-oxadiazol-3-amine (PubChem CID 62807498) has the molecular formula C7H10N6O and a molecular weight of 194.20 g/mol. Its IUPAC name is 4-(5-propan-2-yl-1H-1,2,4-triazol-3-yl)-1,2,5-oxadiazol-3-amine.

Molecular Properties

Compound Name4-(5-propan-2-yl-1H-1,2,4-triazol-3-yl)-1,2,5-oxadiazol-3-amine
PubChem CID62807498
Molecular FormulaC7H10N6O
Molecular Weight194.20 g/mol
Exact Mass194.09
IUPAC Name4-(5-propan-2-yl-1H-1,2,4-triazol-3-yl)-1,2,5-oxadiazol-3-amine
SMILESCC(C)c1nc(-c2nonc2N)n[nH]1
InChIInChI=1S/C7H10N6O/c1-3(2)6-9-7(11-10-6)4-5(8)13-14-12-4/h3H,1-2H3,(H2,8,13)(H,9,10,11)
InChIKeyBQUGIYPDXVWQIW-UHFFFAOYSA-N
XLogP0.56
TPSA106.51 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500194.20
LogP ≤ 50.56
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

Furazan, 3-(dimethylaminomethylenamino)-4-(1,2,4-triazol-3-yl)-
CID 557765
4-[5-(4-methyl-1,2,5-oxadiazol-3-yl)-1H-1,2,4-triazol-3-yl]-1,2,5-oxadiazol-3-amine
CID 659720
1,2,5-Oxadiazol-3-amine, 4,4'-(1H-1,2,4-triazole-3,5-diyl)bis-
CID 616587
3-Amino-4-(5-methoxymethyl-1,2,4-triazol-3-yl)-furazan
CID 126478395
4-(1h-1,2,4-Triazol-3-yl)-1,2,5-oxadiazol-3-amine
CID 565277
3-Amino-4-(5-amino-1h-1,2,4-triazol-3-yl)-1,2,5-oxadiazole
CID 12007475
4-(5-Methyl-1,2,4-triazol-3-yl)furazan-3-amine
CID 58778287
4-[5-(trifluoromethyl)-1H-1,2,4-triazol-3-yl]-1,2,5-oxadiazol-3-amine
CID 141429527
3-Azido-4-[3-(4-azido-1,2,5-oxadiazol-3-yl)-1h-1,2,4-triazol-5-yl]-1,2,5-oxadiazole
CID 12142055
3-(5-Methyl-1,2,4-triazol-3-yl)furazan
CID 129872109
3-(3-Aminofurazan-4-yl)-1,2,4-triazole-5-acetamide
CID 135398174
4-(5-Amino-4h-1,2,4-triazol-3-yl)-1,2,5-oxadiazol-3-amine hydrochloride
CID 139599831

Frequently Asked Questions

What is the IUPAC name of 4-(5-propan-2-yl-1H-1,2,4-triazol-3-yl)-1,2,5-oxadiazol-3-amine?
The IUPAC name of 4-(5-propan-2-yl-1H-1,2,4-triazol-3-yl)-1,2,5-oxadiazol-3-amine (CID 62807498) is 4-(5-propan-2-yl-1H-1,2,4-triazol-3-yl)-1,2,5-oxadiazol-3-amine.
What is the SMILES notation for 4-(5-propan-2-yl-1H-1,2,4-triazol-3-yl)-1,2,5-oxadiazol-3-amine?
The canonical SMILES for 4-(5-propan-2-yl-1H-1,2,4-triazol-3-yl)-1,2,5-oxadiazol-3-amine is CC(C)c1nc(-c2nonc2N)n[nH]1.
What is the InChIKey of 4-(5-propan-2-yl-1H-1,2,4-triazol-3-yl)-1,2,5-oxadiazol-3-amine?
The InChIKey is BQUGIYPDXVWQIW-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H10N6O/c1-3(2)6-9-7(11-10-6)4-5(8)13-14-12-4/h3H,1-2H3,(H2,8,13)(H,9,10,11).
What are the key properties of 4-(5-propan-2-yl-1H-1,2,4-triazol-3-yl)-1,2,5-oxadiazol-3-amine?
4-(5-propan-2-yl-1H-1,2,4-triazol-3-yl)-1,2,5-oxadiazol-3-amine has a molecular weight of 194.20 g/mol, XLogP of 0.56, 2 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(5-propan-2-yl-1H-1,2,4-triazol-3-yl)-1,2,5-oxadiazol-3-amine is sourced from PubChem (CID 62807498), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).