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

C4H6ClN7O — CID 139599831

IUPAC4-(3-amino-1H-1,2,4-triazol-5-yl)-1,2,5-oxadiazol-3-amine;hydrochloride
SMILESCl.Nc1n[nH]c(-c2nonc2N)n1
InChIInChI=1S/C4H5N7O.ClH/c5-2-1(10-12-11-2)3-7-4(6)9-8-3;/h(H2,5,11)(H3,6,7,8,9);1H
InChIKeyMBCZXGMQBZQFKZ-UHFFFAOYSA-N
MW203.59 g/mol
LogP-0.56
Rot. Bonds1

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

4-(3-amino-1H-1,2,4-triazol-5-yl)-1,2,5-oxadiazol-3-amine;hydrochloride (PubChem CID 139599831) has the molecular formula C4H6ClN7O and a molecular weight of 203.59 g/mol. Its IUPAC name is 4-(3-amino-1H-1,2,4-triazol-5-yl)-1,2,5-oxadiazol-3-amine;hydrochloride.

Molecular Properties

Compound Name4-(3-amino-1H-1,2,4-triazol-5-yl)-1,2,5-oxadiazol-3-amine;hydrochloride
PubChem CID139599831
Molecular FormulaC4H6ClN7O
Molecular Weight203.59 g/mol
Exact Mass203.03
IUPAC Name4-(3-amino-1H-1,2,4-triazol-5-yl)-1,2,5-oxadiazol-3-amine;hydrochloride
SMILESCl.Nc1n[nH]c(-c2nonc2N)n1
InChIInChI=1S/C4H5N7O.ClH/c5-2-1(10-12-11-2)3-7-4(6)9-8-3;/h(H2,5,11)(H3,6,7,8,9);1H
InChIKeyMBCZXGMQBZQFKZ-UHFFFAOYSA-N
XLogP-0.56
TPSA132.53 Ų
H-Bond Donors3
H-Bond Acceptors7
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500203.59
LogP ≤ 5-0.56
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 107

Analyze 4-(3-amino-1H-1,2,4-triazol-5-yl)-1,2,5-oxadiazol-3-amine;hydrochloride 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
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
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
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;hydrochloride?
The IUPAC name of 4-(3-amino-1H-1,2,4-triazol-5-yl)-1,2,5-oxadiazol-3-amine;hydrochloride (CID 139599831) is 4-(3-amino-1H-1,2,4-triazol-5-yl)-1,2,5-oxadiazol-3-amine;hydrochloride.
What is the SMILES notation for 4-(3-amino-1H-1,2,4-triazol-5-yl)-1,2,5-oxadiazol-3-amine;hydrochloride?
The canonical SMILES for 4-(3-amino-1H-1,2,4-triazol-5-yl)-1,2,5-oxadiazol-3-amine;hydrochloride is Cl.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;hydrochloride?
The InChIKey is MBCZXGMQBZQFKZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C4H5N7O.ClH/c5-2-1(10-12-11-2)3-7-4(6)9-8-3;/h(H2,5,11)(H3,6,7,8,9);1H.
What are the key properties of 4-(3-amino-1H-1,2,4-triazol-5-yl)-1,2,5-oxadiazol-3-amine;hydrochloride?
4-(3-amino-1H-1,2,4-triazol-5-yl)-1,2,5-oxadiazol-3-amine;hydrochloride has a molecular weight of 203.59 g/mol, XLogP of -0.56, 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;hydrochloride is sourced from PubChem (CID 139599831), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).