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

C6H8N6O — CID 79542978

IUPAC1-[(5-methyl-1,2,4-oxadiazol-3-yl)methyl]triazol-4-amine
SMILESCc1nc(Cn2cc(N)nn2)no1
InChIInChI=1S/C6H8N6O/c1-4-8-6(10-13-4)3-12-2-5(7)9-11-12/h2H,3,7H2,1H3
InChIKeyRBFSSWJGKZNXNV-UHFFFAOYSA-N
MW180.17 g/mol
LogP-0.40
Rot. Bonds2

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

1-[(5-methyl-1,2,4-oxadiazol-3-yl)methyl]triazol-4-amine (PubChem CID 79542978) has the molecular formula C6H8N6O and a molecular weight of 180.17 g/mol. Its IUPAC name is 1-[(5-methyl-1,2,4-oxadiazol-3-yl)methyl]triazol-4-amine.

Molecular Properties

Compound Name1-[(5-methyl-1,2,4-oxadiazol-3-yl)methyl]triazol-4-amine
PubChem CID79542978
Molecular FormulaC6H8N6O
Molecular Weight180.17 g/mol
Exact Mass180.08
IUPAC Name1-[(5-methyl-1,2,4-oxadiazol-3-yl)methyl]triazol-4-amine
SMILESCc1nc(Cn2cc(N)nn2)no1
InChIInChI=1S/C6H8N6O/c1-4-8-6(10-13-4)3-12-2-5(7)9-11-12/h2H,3,7H2,1H3
InChIKeyRBFSSWJGKZNXNV-UHFFFAOYSA-N
XLogP-0.40
TPSA95.65 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500180.17
LogP ≤ 5-0.40
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 1-[(5-methyl-1,2,4-oxadiazol-3-yl)methyl]triazol-4-amine?
The IUPAC name of 1-[(5-methyl-1,2,4-oxadiazol-3-yl)methyl]triazol-4-amine (CID 79542978) is 1-[(5-methyl-1,2,4-oxadiazol-3-yl)methyl]triazol-4-amine.
What is the SMILES notation for 1-[(5-methyl-1,2,4-oxadiazol-3-yl)methyl]triazol-4-amine?
The canonical SMILES for 1-[(5-methyl-1,2,4-oxadiazol-3-yl)methyl]triazol-4-amine is Cc1nc(Cn2cc(N)nn2)no1.
What is the InChIKey of 1-[(5-methyl-1,2,4-oxadiazol-3-yl)methyl]triazol-4-amine?
The InChIKey is RBFSSWJGKZNXNV-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H8N6O/c1-4-8-6(10-13-4)3-12-2-5(7)9-11-12/h2H,3,7H2,1H3.
What are the key properties of 1-[(5-methyl-1,2,4-oxadiazol-3-yl)methyl]triazol-4-amine?
1-[(5-methyl-1,2,4-oxadiazol-3-yl)methyl]triazol-4-amine has a molecular weight of 180.17 g/mol, XLogP of -0.40, 2 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(5-methyl-1,2,4-oxadiazol-3-yl)methyl]triazol-4-amine is sourced from PubChem (CID 79542978), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).