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

C5H7N7O — CID 104605498

IUPAC4-(5-amino-1-methyl-1,2,4-triazol-3-yl)-1,2,5-oxadiazol-3-amine
SMILESCn1nc(-c2nonc2N)nc1N
InChIInChI=1S/C5H7N7O/c1-12-5(7)8-4(9-12)2-3(6)11-13-10-2/h1H3,(H2,6,11)(H2,7,8,9)
InChIKeyZTAHTELHTPVQOX-UHFFFAOYSA-N
MW181.16 g/mol
LogP-0.97
Rot. Bonds1

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

4-(5-amino-1-methyl-1,2,4-triazol-3-yl)-1,2,5-oxadiazol-3-amine (PubChem CID 104605498) has the molecular formula C5H7N7O and a molecular weight of 181.16 g/mol. Its IUPAC name is 4-(5-amino-1-methyl-1,2,4-triazol-3-yl)-1,2,5-oxadiazol-3-amine.

Molecular Properties

Compound Name4-(5-amino-1-methyl-1,2,4-triazol-3-yl)-1,2,5-oxadiazol-3-amine
PubChem CID104605498
Molecular FormulaC5H7N7O
Molecular Weight181.16 g/mol
Exact Mass181.07
IUPAC Name4-(5-amino-1-methyl-1,2,4-triazol-3-yl)-1,2,5-oxadiazol-3-amine
SMILESCn1nc(-c2nonc2N)nc1N
InChIInChI=1S/C5H7N7O/c1-12-5(7)8-4(9-12)2-3(6)11-13-10-2/h1H3,(H2,6,11)(H2,7,8,9)
InChIKeyZTAHTELHTPVQOX-UHFFFAOYSA-N
XLogP-0.97
TPSA121.67 Ų
H-Bond Donors2
H-Bond Acceptors8
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500181.16
LogP ≤ 5-0.97
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 108

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Related Compounds

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CID 58778287
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CID 595628
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CID 403296
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CID 1907101
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Frequently Asked Questions

What is the IUPAC name of 4-(5-amino-1-methyl-1,2,4-triazol-3-yl)-1,2,5-oxadiazol-3-amine?
The IUPAC name of 4-(5-amino-1-methyl-1,2,4-triazol-3-yl)-1,2,5-oxadiazol-3-amine (CID 104605498) is 4-(5-amino-1-methyl-1,2,4-triazol-3-yl)-1,2,5-oxadiazol-3-amine.
What is the SMILES notation for 4-(5-amino-1-methyl-1,2,4-triazol-3-yl)-1,2,5-oxadiazol-3-amine?
The canonical SMILES for 4-(5-amino-1-methyl-1,2,4-triazol-3-yl)-1,2,5-oxadiazol-3-amine is Cn1nc(-c2nonc2N)nc1N.
What is the InChIKey of 4-(5-amino-1-methyl-1,2,4-triazol-3-yl)-1,2,5-oxadiazol-3-amine?
The InChIKey is ZTAHTELHTPVQOX-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H7N7O/c1-12-5(7)8-4(9-12)2-3(6)11-13-10-2/h1H3,(H2,6,11)(H2,7,8,9).
What are the key properties of 4-(5-amino-1-methyl-1,2,4-triazol-3-yl)-1,2,5-oxadiazol-3-amine?
4-(5-amino-1-methyl-1,2,4-triazol-3-yl)-1,2,5-oxadiazol-3-amine has a molecular weight of 181.16 g/mol, XLogP of -0.97, 1 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(5-amino-1-methyl-1,2,4-triazol-3-yl)-1,2,5-oxadiazol-3-amine is sourced from PubChem (CID 104605498), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).