1-[2-[(3,5-dimethyl-1,2,4-triazol-1-yl)methyl]-1-benzofuran-3-yl]-N-methylmethanamine

C15H18N4O — CID 62447902

IUPAC1-[2-[(3,5-dimethyl-1,2,4-triazol-1-yl)methyl]-1-benzofuran-3-yl]-N-methylmethanamine
SMILESCNCc1c(Cn2nc(C)nc2C)oc2ccccc12
InChIInChI=1S/C15H18N4O/c1-10-17-11(2)19(18-10)9-15-13(8-16-3)12-6-4-5-7-14(12)20-15/h4-7,16H,8-9H2,1-3H3
InChIKeyAYDHCSRICJMHNO-UHFFFAOYSA-N
MW270.34 g/mol
LogP2.41
Rot. Bonds4

About 1-[2-[(3,5-dimethyl-1,2,4-triazol-1-yl)methyl]-1-benzofuran-3-yl]-N-methylmethanamine

1-[2-[(3,5-dimethyl-1,2,4-triazol-1-yl)methyl]-1-benzofuran-3-yl]-N-methylmethanamine (PubChem CID 62447902) has the molecular formula C15H18N4O and a molecular weight of 270.34 g/mol. Its IUPAC name is 1-[2-[(3,5-dimethyl-1,2,4-triazol-1-yl)methyl]-1-benzofuran-3-yl]-N-methylmethanamine.

Molecular Properties

Compound Name1-[2-[(3,5-dimethyl-1,2,4-triazol-1-yl)methyl]-1-benzofuran-3-yl]-N-methylmethanamine
PubChem CID62447902
Molecular FormulaC15H18N4O
Molecular Weight270.34 g/mol
Exact Mass270.15
IUPAC Name1-[2-[(3,5-dimethyl-1,2,4-triazol-1-yl)methyl]-1-benzofuran-3-yl]-N-methylmethanamine
SMILESCNCc1c(Cn2nc(C)nc2C)oc2ccccc12
InChIInChI=1S/C15H18N4O/c1-10-17-11(2)19(18-10)9-15-13(8-16-3)12-6-4-5-7-14(12)20-15/h4-7,16H,8-9H2,1-3H3
InChIKeyAYDHCSRICJMHNO-UHFFFAOYSA-N
XLogP2.41
TPSA55.88 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500270.34
LogP ≤ 52.41
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 1-[2-[(3,5-dimethyl-1,2,4-triazol-1-yl)methyl]-1-benzofuran-3-yl]-N-methylmethanamine?
The IUPAC name of 1-[2-[(3,5-dimethyl-1,2,4-triazol-1-yl)methyl]-1-benzofuran-3-yl]-N-methylmethanamine (CID 62447902) is 1-[2-[(3,5-dimethyl-1,2,4-triazol-1-yl)methyl]-1-benzofuran-3-yl]-N-methylmethanamine.
What is the SMILES notation for 1-[2-[(3,5-dimethyl-1,2,4-triazol-1-yl)methyl]-1-benzofuran-3-yl]-N-methylmethanamine?
The canonical SMILES for 1-[2-[(3,5-dimethyl-1,2,4-triazol-1-yl)methyl]-1-benzofuran-3-yl]-N-methylmethanamine is CNCc1c(Cn2nc(C)nc2C)oc2ccccc12.
What is the InChIKey of 1-[2-[(3,5-dimethyl-1,2,4-triazol-1-yl)methyl]-1-benzofuran-3-yl]-N-methylmethanamine?
The InChIKey is AYDHCSRICJMHNO-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H18N4O/c1-10-17-11(2)19(18-10)9-15-13(8-16-3)12-6-4-5-7-14(12)20-15/h4-7,16H,8-9H2,1-3H3.
What are the key properties of 1-[2-[(3,5-dimethyl-1,2,4-triazol-1-yl)methyl]-1-benzofuran-3-yl]-N-methylmethanamine?
1-[2-[(3,5-dimethyl-1,2,4-triazol-1-yl)methyl]-1-benzofuran-3-yl]-N-methylmethanamine has a molecular weight of 270.34 g/mol, XLogP of 2.41, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-[(3,5-dimethyl-1,2,4-triazol-1-yl)methyl]-1-benzofuran-3-yl]-N-methylmethanamine is sourced from PubChem (CID 62447902), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).