N-[[(2R)-5-methoxy-2-methyl-2,3-dihydro-1-benzofuran-7-yl]methyl]-2,5-dimethyl-1,2,4-triazol-3-amine

C15H20N4O2 — CID 99716202

IUPACN-[[(2R)-5-methoxy-2-methyl-2,3-dihydro-1-benzofuran-7-yl]methyl]-2,5-dimethyl-1,2,4-triazol-3-amine
SMILESCOc1cc(CNc2nc(C)nn2C)c2c(c1)C[C@@H](C)O2
InChIInChI=1S/C15H20N4O2/c1-9-5-11-6-13(20-4)7-12(14(11)21-9)8-16-15-17-10(2)18-19(15)3/h6-7,9H,5,8H2,1-4H3,(H,16,17,18)/t9-/m1/s1
InChIKeyDBARBIWNKNIPHU-SECBINFHSA-N
MW288.35 g/mol
LogP2.07
Rot. Bonds4

About N-[[(2R)-5-methoxy-2-methyl-2,3-dihydro-1-benzofuran-7-yl]methyl]-2,5-dimethyl-1,2,4-triazol-3-amine

N-[[(2R)-5-methoxy-2-methyl-2,3-dihydro-1-benzofuran-7-yl]methyl]-2,5-dimethyl-1,2,4-triazol-3-amine (PubChem CID 99716202) has the molecular formula C15H20N4O2 and a molecular weight of 288.35 g/mol. Its IUPAC name is N-[[(2R)-5-methoxy-2-methyl-2,3-dihydro-1-benzofuran-7-yl]methyl]-2,5-dimethyl-1,2,4-triazol-3-amine.

Molecular Properties

Compound NameN-[[(2R)-5-methoxy-2-methyl-2,3-dihydro-1-benzofuran-7-yl]methyl]-2,5-dimethyl-1,2,4-triazol-3-amine
PubChem CID99716202
Molecular FormulaC15H20N4O2
Molecular Weight288.35 g/mol
Exact Mass288.16
IUPAC NameN-[[(2R)-5-methoxy-2-methyl-2,3-dihydro-1-benzofuran-7-yl]methyl]-2,5-dimethyl-1,2,4-triazol-3-amine
SMILESCOc1cc(CNc2nc(C)nn2C)c2c(c1)C[C@@H](C)O2
InChIInChI=1S/C15H20N4O2/c1-9-5-11-6-13(20-4)7-12(14(11)21-9)8-16-15-17-10(2)18-19(15)3/h6-7,9H,5,8H2,1-4H3,(H,16,17,18)/t9-/m1/s1
InChIKeyDBARBIWNKNIPHU-SECBINFHSA-N
XLogP2.07
TPSA61.20 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.35
LogP ≤ 52.07
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of N-[[(2R)-5-methoxy-2-methyl-2,3-dihydro-1-benzofuran-7-yl]methyl]-2,5-dimethyl-1,2,4-triazol-3-amine?
The IUPAC name of N-[[(2R)-5-methoxy-2-methyl-2,3-dihydro-1-benzofuran-7-yl]methyl]-2,5-dimethyl-1,2,4-triazol-3-amine (CID 99716202) is N-[[(2R)-5-methoxy-2-methyl-2,3-dihydro-1-benzofuran-7-yl]methyl]-2,5-dimethyl-1,2,4-triazol-3-amine.
What is the SMILES notation for N-[[(2R)-5-methoxy-2-methyl-2,3-dihydro-1-benzofuran-7-yl]methyl]-2,5-dimethyl-1,2,4-triazol-3-amine?
The canonical SMILES for N-[[(2R)-5-methoxy-2-methyl-2,3-dihydro-1-benzofuran-7-yl]methyl]-2,5-dimethyl-1,2,4-triazol-3-amine is COc1cc(CNc2nc(C)nn2C)c2c(c1)C[C@@H](C)O2.
What is the InChIKey of N-[[(2R)-5-methoxy-2-methyl-2,3-dihydro-1-benzofuran-7-yl]methyl]-2,5-dimethyl-1,2,4-triazol-3-amine?
The InChIKey is DBARBIWNKNIPHU-SECBINFHSA-N. The full InChI is InChI=1S/C15H20N4O2/c1-9-5-11-6-13(20-4)7-12(14(11)21-9)8-16-15-17-10(2)18-19(15)3/h6-7,9H,5,8H2,1-4H3,(H,16,17,18)/t9-/m1/s1.
What are the key properties of N-[[(2R)-5-methoxy-2-methyl-2,3-dihydro-1-benzofuran-7-yl]methyl]-2,5-dimethyl-1,2,4-triazol-3-amine?
N-[[(2R)-5-methoxy-2-methyl-2,3-dihydro-1-benzofuran-7-yl]methyl]-2,5-dimethyl-1,2,4-triazol-3-amine has a molecular weight of 288.35 g/mol, XLogP of 2.07, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[(2R)-5-methoxy-2-methyl-2,3-dihydro-1-benzofuran-7-yl]methyl]-2,5-dimethyl-1,2,4-triazol-3-amine is sourced from PubChem (CID 99716202), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).