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

C15H18N6O — CID 75498252

IUPACN-[[3-methyl-4-(1,2,4-triazol-1-yl)phenyl]methyl]-5-propan-2-yl-1,3,4-oxadiazol-2-amine
SMILESCc1cc(CNc2nnc(C(C)C)o2)ccc1-n1cncn1
InChIInChI=1S/C15H18N6O/c1-10(2)14-19-20-15(22-14)17-7-12-4-5-13(11(3)6-12)21-9-16-8-18-21/h4-6,8-10H,7H2,1-3H3,(H,17,20)
InChIKeyZUHHEJHHBNEDOR-UHFFFAOYSA-N
MW298.35 g/mol
LogP2.69
Rot. Bonds5

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

N-[[3-methyl-4-(1,2,4-triazol-1-yl)phenyl]methyl]-5-propan-2-yl-1,3,4-oxadiazol-2-amine (PubChem CID 75498252) has the molecular formula C15H18N6O and a molecular weight of 298.35 g/mol. Its IUPAC name is N-[[3-methyl-4-(1,2,4-triazol-1-yl)phenyl]methyl]-5-propan-2-yl-1,3,4-oxadiazol-2-amine.

Molecular Properties

Compound NameN-[[3-methyl-4-(1,2,4-triazol-1-yl)phenyl]methyl]-5-propan-2-yl-1,3,4-oxadiazol-2-amine
PubChem CID75498252
Molecular FormulaC15H18N6O
Molecular Weight298.35 g/mol
Exact Mass298.15
IUPAC NameN-[[3-methyl-4-(1,2,4-triazol-1-yl)phenyl]methyl]-5-propan-2-yl-1,3,4-oxadiazol-2-amine
SMILESCc1cc(CNc2nnc(C(C)C)o2)ccc1-n1cncn1
InChIInChI=1S/C15H18N6O/c1-10(2)14-19-20-15(22-14)17-7-12-4-5-13(11(3)6-12)21-9-16-8-18-21/h4-6,8-10H,7H2,1-3H3,(H,17,20)
InChIKeyZUHHEJHHBNEDOR-UHFFFAOYSA-N
XLogP2.69
TPSA81.66 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500298.35
LogP ≤ 52.69
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of N-[[3-methyl-4-(1,2,4-triazol-1-yl)phenyl]methyl]-5-propan-2-yl-1,3,4-oxadiazol-2-amine?
The IUPAC name of N-[[3-methyl-4-(1,2,4-triazol-1-yl)phenyl]methyl]-5-propan-2-yl-1,3,4-oxadiazol-2-amine (CID 75498252) is N-[[3-methyl-4-(1,2,4-triazol-1-yl)phenyl]methyl]-5-propan-2-yl-1,3,4-oxadiazol-2-amine.
What is the SMILES notation for N-[[3-methyl-4-(1,2,4-triazol-1-yl)phenyl]methyl]-5-propan-2-yl-1,3,4-oxadiazol-2-amine?
The canonical SMILES for N-[[3-methyl-4-(1,2,4-triazol-1-yl)phenyl]methyl]-5-propan-2-yl-1,3,4-oxadiazol-2-amine is Cc1cc(CNc2nnc(C(C)C)o2)ccc1-n1cncn1.
What is the InChIKey of N-[[3-methyl-4-(1,2,4-triazol-1-yl)phenyl]methyl]-5-propan-2-yl-1,3,4-oxadiazol-2-amine?
The InChIKey is ZUHHEJHHBNEDOR-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H18N6O/c1-10(2)14-19-20-15(22-14)17-7-12-4-5-13(11(3)6-12)21-9-16-8-18-21/h4-6,8-10H,7H2,1-3H3,(H,17,20).
What are the key properties of N-[[3-methyl-4-(1,2,4-triazol-1-yl)phenyl]methyl]-5-propan-2-yl-1,3,4-oxadiazol-2-amine?
N-[[3-methyl-4-(1,2,4-triazol-1-yl)phenyl]methyl]-5-propan-2-yl-1,3,4-oxadiazol-2-amine has a molecular weight of 298.35 g/mol, XLogP of 2.69, 5 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[3-methyl-4-(1,2,4-triazol-1-yl)phenyl]methyl]-5-propan-2-yl-1,3,4-oxadiazol-2-amine is sourced from PubChem (CID 75498252), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).