[3-(6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-ylmethyl)-1-benzofuran-2-yl]methanamine

C15H17N5O — CID 64578877

IUPAC[3-(6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-ylmethyl)-1-benzofuran-2-yl]methanamine
SMILESNCc1oc2ccccc2c1CN1CCn2cnnc2C1
InChIInChI=1S/C15H17N5O/c16-7-14-12(11-3-1-2-4-13(11)21-14)8-19-5-6-20-10-17-18-15(20)9-19/h1-4,10H,5-9,16H2
InChIKeyYWHGRNUMDMIWOI-UHFFFAOYSA-N
MW283.33 g/mol
LogP1.50
Rot. Bonds3

About [3-(6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-ylmethyl)-1-benzofuran-2-yl]methanamine

[3-(6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-ylmethyl)-1-benzofuran-2-yl]methanamine (PubChem CID 64578877) has the molecular formula C15H17N5O and a molecular weight of 283.33 g/mol. Its IUPAC name is [3-(6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-ylmethyl)-1-benzofuran-2-yl]methanamine.

Molecular Properties

Compound Name[3-(6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-ylmethyl)-1-benzofuran-2-yl]methanamine
PubChem CID64578877
Molecular FormulaC15H17N5O
Molecular Weight283.33 g/mol
Exact Mass283.14
IUPAC Name[3-(6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-ylmethyl)-1-benzofuran-2-yl]methanamine
SMILESNCc1oc2ccccc2c1CN1CCn2cnnc2C1
InChIInChI=1S/C15H17N5O/c16-7-14-12(11-3-1-2-4-13(11)21-14)8-19-5-6-20-10-17-18-15(20)9-19/h1-4,10H,5-9,16H2
InChIKeyYWHGRNUMDMIWOI-UHFFFAOYSA-N
XLogP1.50
TPSA73.11 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500283.33
LogP ≤ 51.50
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of [3-(6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-ylmethyl)-1-benzofuran-2-yl]methanamine?
The IUPAC name of [3-(6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-ylmethyl)-1-benzofuran-2-yl]methanamine (CID 64578877) is [3-(6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-ylmethyl)-1-benzofuran-2-yl]methanamine.
What is the SMILES notation for [3-(6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-ylmethyl)-1-benzofuran-2-yl]methanamine?
The canonical SMILES for [3-(6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-ylmethyl)-1-benzofuran-2-yl]methanamine is NCc1oc2ccccc2c1CN1CCn2cnnc2C1.
What is the InChIKey of [3-(6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-ylmethyl)-1-benzofuran-2-yl]methanamine?
The InChIKey is YWHGRNUMDMIWOI-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H17N5O/c16-7-14-12(11-3-1-2-4-13(11)21-14)8-19-5-6-20-10-17-18-15(20)9-19/h1-4,10H,5-9,16H2.
What are the key properties of [3-(6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-ylmethyl)-1-benzofuran-2-yl]methanamine?
[3-(6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-ylmethyl)-1-benzofuran-2-yl]methanamine has a molecular weight of 283.33 g/mol, XLogP of 1.50, 3 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for [3-(6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-ylmethyl)-1-benzofuran-2-yl]methanamine is sourced from PubChem (CID 64578877), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).