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

C7H10N6O — CID 62807499

IUPAC4-(5-propyl-1H-1,2,4-triazol-3-yl)-1,2,5-oxadiazol-3-amine
SMILESCCCc1nc(-c2nonc2N)n[nH]1
InChIInChI=1S/C7H10N6O/c1-2-3-4-9-7(11-10-4)5-6(8)13-14-12-5/h2-3H2,1H3,(H2,8,13)(H,9,10,11)
InChIKeyNJLDXKKXPSSICI-UHFFFAOYSA-N
MW194.20 g/mol
LogP0.39
Rot. Bonds3

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

4-(5-propyl-1H-1,2,4-triazol-3-yl)-1,2,5-oxadiazol-3-amine (PubChem CID 62807499) has the molecular formula C7H10N6O and a molecular weight of 194.20 g/mol. Its IUPAC name is 4-(5-propyl-1H-1,2,4-triazol-3-yl)-1,2,5-oxadiazol-3-amine.

Molecular Properties

Compound Name4-(5-propyl-1H-1,2,4-triazol-3-yl)-1,2,5-oxadiazol-3-amine
PubChem CID62807499
Molecular FormulaC7H10N6O
Molecular Weight194.20 g/mol
Exact Mass194.09
IUPAC Name4-(5-propyl-1H-1,2,4-triazol-3-yl)-1,2,5-oxadiazol-3-amine
SMILESCCCc1nc(-c2nonc2N)n[nH]1
InChIInChI=1S/C7H10N6O/c1-2-3-4-9-7(11-10-4)5-6(8)13-14-12-5/h2-3H2,1H3,(H2,8,13)(H,9,10,11)
InChIKeyNJLDXKKXPSSICI-UHFFFAOYSA-N
XLogP0.39
TPSA106.51 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500194.20
LogP ≤ 50.39
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Analyze 4-(5-propyl-1H-1,2,4-triazol-3-yl)-1,2,5-oxadiazol-3-amine with MolForge

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

Launch Full Analysis

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
4H-1,2,4-Triazole, 3-(4-amino-3-furazanyl)-5-(4-amino-3-furazanylmethyl)-
CID 606009
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
Pentan-1-ol, 5-[5-(4-amino-3-furazanyl)-4H-1,2,4-triazol-3-yl]-
CID 595972
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-nitro-5-(5-nitro-1H-1,2,4-triazol-3-yl)-2H-triazole
CID 141751488
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

Frequently Asked Questions

What is the IUPAC name of 4-(5-propyl-1H-1,2,4-triazol-3-yl)-1,2,5-oxadiazol-3-amine?
The IUPAC name of 4-(5-propyl-1H-1,2,4-triazol-3-yl)-1,2,5-oxadiazol-3-amine (CID 62807499) is 4-(5-propyl-1H-1,2,4-triazol-3-yl)-1,2,5-oxadiazol-3-amine.
What is the SMILES notation for 4-(5-propyl-1H-1,2,4-triazol-3-yl)-1,2,5-oxadiazol-3-amine?
The canonical SMILES for 4-(5-propyl-1H-1,2,4-triazol-3-yl)-1,2,5-oxadiazol-3-amine is CCCc1nc(-c2nonc2N)n[nH]1.
What is the InChIKey of 4-(5-propyl-1H-1,2,4-triazol-3-yl)-1,2,5-oxadiazol-3-amine?
The InChIKey is NJLDXKKXPSSICI-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H10N6O/c1-2-3-4-9-7(11-10-4)5-6(8)13-14-12-5/h2-3H2,1H3,(H2,8,13)(H,9,10,11).
What are the key properties of 4-(5-propyl-1H-1,2,4-triazol-3-yl)-1,2,5-oxadiazol-3-amine?
4-(5-propyl-1H-1,2,4-triazol-3-yl)-1,2,5-oxadiazol-3-amine has a molecular weight of 194.20 g/mol, XLogP of 0.39, 3 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(5-propyl-1H-1,2,4-triazol-3-yl)-1,2,5-oxadiazol-3-amine is sourced from PubChem (CID 62807499), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).