N-[(1-methyltriazol-4-yl)methyl]dibenzofuran-2-amine

C16H14N4O — CID 62757748

IUPACN-[(1-methyltriazol-4-yl)methyl]dibenzofuran-2-amine
SMILESCn1cc(CNc2ccc3oc4ccccc4c3c2)nn1
InChIInChI=1S/C16H14N4O/c1-20-10-12(18-19-20)9-17-11-6-7-16-14(8-11)13-4-2-3-5-15(13)21-16/h2-8,10,17H,9H2,1H3
InChIKeyAAMKQOPDRBTBOW-UHFFFAOYSA-N
MW278.31 g/mol
LogP3.33
Rot. Bonds3

About N-[(1-methyltriazol-4-yl)methyl]dibenzofuran-2-amine

N-[(1-methyltriazol-4-yl)methyl]dibenzofuran-2-amine (PubChem CID 62757748) has the molecular formula C16H14N4O and a molecular weight of 278.31 g/mol. Its IUPAC name is N-[(1-methyltriazol-4-yl)methyl]dibenzofuran-2-amine.

Molecular Properties

Compound NameN-[(1-methyltriazol-4-yl)methyl]dibenzofuran-2-amine
PubChem CID62757748
Molecular FormulaC16H14N4O
Molecular Weight278.31 g/mol
Exact Mass278.12
IUPAC NameN-[(1-methyltriazol-4-yl)methyl]dibenzofuran-2-amine
SMILESCn1cc(CNc2ccc3oc4ccccc4c3c2)nn1
InChIInChI=1S/C16H14N4O/c1-20-10-12(18-19-20)9-17-11-6-7-16-14(8-11)13-4-2-3-5-15(13)21-16/h2-8,10,17H,9H2,1H3
InChIKeyAAMKQOPDRBTBOW-UHFFFAOYSA-N
XLogP3.33
TPSA55.88 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500278.31
LogP ≤ 53.33
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-[(1-methyltriazol-4-yl)methyl]dibenzofuran-2-amine?
The IUPAC name of N-[(1-methyltriazol-4-yl)methyl]dibenzofuran-2-amine (CID 62757748) is N-[(1-methyltriazol-4-yl)methyl]dibenzofuran-2-amine.
What is the SMILES notation for N-[(1-methyltriazol-4-yl)methyl]dibenzofuran-2-amine?
The canonical SMILES for N-[(1-methyltriazol-4-yl)methyl]dibenzofuran-2-amine is Cn1cc(CNc2ccc3oc4ccccc4c3c2)nn1.
What is the InChIKey of N-[(1-methyltriazol-4-yl)methyl]dibenzofuran-2-amine?
The InChIKey is AAMKQOPDRBTBOW-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H14N4O/c1-20-10-12(18-19-20)9-17-11-6-7-16-14(8-11)13-4-2-3-5-15(13)21-16/h2-8,10,17H,9H2,1H3.
What are the key properties of N-[(1-methyltriazol-4-yl)methyl]dibenzofuran-2-amine?
N-[(1-methyltriazol-4-yl)methyl]dibenzofuran-2-amine has a molecular weight of 278.31 g/mol, XLogP of 3.33, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1-methyltriazol-4-yl)methyl]dibenzofuran-2-amine is sourced from PubChem (CID 62757748), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).