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

C4H5N7O — CID 12007475

IUPAC4-(3-amino-1H-1,2,4-triazol-5-yl)-1,2,5-oxadiazol-3-amine
SMILESNc1n[nH]c(-c2nonc2N)n1
InChIInChI=1S/C4H5N7O/c5-2-1(10-12-11-2)3-7-4(6)9-8-3/h(H2,5,11)(H3,6,7,8,9)
InChIKeyROYDNGRCTPZMBR-UHFFFAOYSA-N
MW167.13 g/mol
LogP-0.98
Rot. Bonds1

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

4-(3-amino-1H-1,2,4-triazol-5-yl)-1,2,5-oxadiazol-3-amine (PubChem CID 12007475) has the molecular formula C4H5N7O and a molecular weight of 167.13 g/mol. Its IUPAC name is 4-(3-amino-1H-1,2,4-triazol-5-yl)-1,2,5-oxadiazol-3-amine.

Molecular Properties

Compound Name4-(3-amino-1H-1,2,4-triazol-5-yl)-1,2,5-oxadiazol-3-amine
PubChem CID12007475
Molecular FormulaC4H5N7O
Molecular Weight167.13 g/mol
Exact Mass167.06
IUPAC Name4-(3-amino-1H-1,2,4-triazol-5-yl)-1,2,5-oxadiazol-3-amine
SMILESNc1n[nH]c(-c2nonc2N)n1
InChIInChI=1S/C4H5N7O/c5-2-1(10-12-11-2)3-7-4(6)9-8-3/h(H2,5,11)(H3,6,7,8,9)
InChIKeyROYDNGRCTPZMBR-UHFFFAOYSA-N
XLogP-0.98
TPSA132.53 Ų
H-Bond Donors3
H-Bond Acceptors7
Rotatable Bonds1
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500167.13
LogP ≤ 5-0.98
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 107

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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-Nitro-4-[5-(4-nitro-1,2,5-oxadiazol-3-yl)-4H-1,2,4-triazol-3-yl]-1,2,5-oxadiazole
CID 542732
4-(1h-1,2,4-Triazol-3-yl)-1,2,5-oxadiazol-3-amine
CID 565277
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
4-[5-(4-nitro-1,2,5-oxadiazol-3-yl)-1H-1,2,4-triazol-3-yl]-1,2,5-oxadiazole-3-thione
CID 175646723
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-Bis(4-nitramino-1,2,5-oxadiazol-3-yl)-1,2,4-triazole
CID 129743798
Water 3-amino-4-(1,2,4-triazol-3-yl)furazan
CID 129748083

Frequently Asked Questions

What is the IUPAC name of 4-(3-amino-1H-1,2,4-triazol-5-yl)-1,2,5-oxadiazol-3-amine?
The IUPAC name of 4-(3-amino-1H-1,2,4-triazol-5-yl)-1,2,5-oxadiazol-3-amine (CID 12007475) is 4-(3-amino-1H-1,2,4-triazol-5-yl)-1,2,5-oxadiazol-3-amine.
What is the SMILES notation for 4-(3-amino-1H-1,2,4-triazol-5-yl)-1,2,5-oxadiazol-3-amine?
The canonical SMILES for 4-(3-amino-1H-1,2,4-triazol-5-yl)-1,2,5-oxadiazol-3-amine is Nc1n[nH]c(-c2nonc2N)n1.
What is the InChIKey of 4-(3-amino-1H-1,2,4-triazol-5-yl)-1,2,5-oxadiazol-3-amine?
The InChIKey is ROYDNGRCTPZMBR-UHFFFAOYSA-N. The full InChI is InChI=1S/C4H5N7O/c5-2-1(10-12-11-2)3-7-4(6)9-8-3/h(H2,5,11)(H3,6,7,8,9).
What are the key properties of 4-(3-amino-1H-1,2,4-triazol-5-yl)-1,2,5-oxadiazol-3-amine?
4-(3-amino-1H-1,2,4-triazol-5-yl)-1,2,5-oxadiazol-3-amine has a molecular weight of 167.13 g/mol, XLogP of -0.98, 1 rotatable bonds, 3 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(3-amino-1H-1,2,4-triazol-5-yl)-1,2,5-oxadiazol-3-amine is sourced from PubChem (CID 12007475), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).