8-(1-cyclopropylpyrazol-4-yl)-N-(2,3-dihydro-1-benzofuran-4-ylmethyl)-[1,2,4]triazolo[4,3-c]pyrimidin-5-amine

C20H19N7O — CID 121432905

IUPAC8-(1-cyclopropylpyrazol-4-yl)-N-(2,3-dihydro-1-benzofuran-4-ylmethyl)-[1,2,4]triazolo[4,3-c]pyrimidin-5-amine
SMILESc1cc(CNc2ncc(-c3cnn(C4CC4)c3)c3nncn23)c2c(c1)OCC2
InChIInChI=1S/C20H19N7O/c1-2-13(16-6-7-28-18(16)3-1)8-21-20-22-10-17(19-25-23-12-26(19)20)14-9-24-27(11-14)15-4-5-15/h1-3,9-12,15H,4-8H2,(H,21,22)
InChIKeyMGRDRQOHZLHNJD-UHFFFAOYSA-N
MW373.42 g/mol
LogP2.87
Rot. Bonds5

About 8-(1-cyclopropylpyrazol-4-yl)-N-(2,3-dihydro-1-benzofuran-4-ylmethyl)-[1,2,4]triazolo[4,3-c]pyrimidin-5-amine

8-(1-cyclopropylpyrazol-4-yl)-N-(2,3-dihydro-1-benzofuran-4-ylmethyl)-[1,2,4]triazolo[4,3-c]pyrimidin-5-amine (PubChem CID 121432905) has the molecular formula C20H19N7O and a molecular weight of 373.42 g/mol. Its IUPAC name is 8-(1-cyclopropylpyrazol-4-yl)-N-(2,3-dihydro-1-benzofuran-4-ylmethyl)-[1,2,4]triazolo[4,3-c]pyrimidin-5-amine.

Molecular Properties

Compound Name8-(1-cyclopropylpyrazol-4-yl)-N-(2,3-dihydro-1-benzofuran-4-ylmethyl)-[1,2,4]triazolo[4,3-c]pyrimidin-5-amine
PubChem CID121432905
Molecular FormulaC20H19N7O
Molecular Weight373.42 g/mol
Exact Mass373.17
IUPAC Name8-(1-cyclopropylpyrazol-4-yl)-N-(2,3-dihydro-1-benzofuran-4-ylmethyl)-[1,2,4]triazolo[4,3-c]pyrimidin-5-amine
SMILESc1cc(CNc2ncc(-c3cnn(C4CC4)c3)c3nncn23)c2c(c1)OCC2
InChIInChI=1S/C20H19N7O/c1-2-13(16-6-7-28-18(16)3-1)8-21-20-22-10-17(19-25-23-12-26(19)20)14-9-24-27(11-14)15-4-5-15/h1-3,9-12,15H,4-8H2,(H,21,22)
InChIKeyMGRDRQOHZLHNJD-UHFFFAOYSA-N
XLogP2.87
TPSA82.16 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500373.42
LogP ≤ 52.87
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

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Frequently Asked Questions

What is the IUPAC name of 8-(1-cyclopropylpyrazol-4-yl)-N-(2,3-dihydro-1-benzofuran-4-ylmethyl)-[1,2,4]triazolo[4,3-c]pyrimidin-5-amine?
The IUPAC name of 8-(1-cyclopropylpyrazol-4-yl)-N-(2,3-dihydro-1-benzofuran-4-ylmethyl)-[1,2,4]triazolo[4,3-c]pyrimidin-5-amine (CID 121432905) is 8-(1-cyclopropylpyrazol-4-yl)-N-(2,3-dihydro-1-benzofuran-4-ylmethyl)-[1,2,4]triazolo[4,3-c]pyrimidin-5-amine.
What is the SMILES notation for 8-(1-cyclopropylpyrazol-4-yl)-N-(2,3-dihydro-1-benzofuran-4-ylmethyl)-[1,2,4]triazolo[4,3-c]pyrimidin-5-amine?
The canonical SMILES for 8-(1-cyclopropylpyrazol-4-yl)-N-(2,3-dihydro-1-benzofuran-4-ylmethyl)-[1,2,4]triazolo[4,3-c]pyrimidin-5-amine is c1cc(CNc2ncc(-c3cnn(C4CC4)c3)c3nncn23)c2c(c1)OCC2.
What is the InChIKey of 8-(1-cyclopropylpyrazol-4-yl)-N-(2,3-dihydro-1-benzofuran-4-ylmethyl)-[1,2,4]triazolo[4,3-c]pyrimidin-5-amine?
The InChIKey is MGRDRQOHZLHNJD-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H19N7O/c1-2-13(16-6-7-28-18(16)3-1)8-21-20-22-10-17(19-25-23-12-26(19)20)14-9-24-27(11-14)15-4-5-15/h1-3,9-12,15H,4-8H2,(H,21,22).
What are the key properties of 8-(1-cyclopropylpyrazol-4-yl)-N-(2,3-dihydro-1-benzofuran-4-ylmethyl)-[1,2,4]triazolo[4,3-c]pyrimidin-5-amine?
8-(1-cyclopropylpyrazol-4-yl)-N-(2,3-dihydro-1-benzofuran-4-ylmethyl)-[1,2,4]triazolo[4,3-c]pyrimidin-5-amine has a molecular weight of 373.42 g/mol, XLogP of 2.87, 5 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 8-(1-cyclopropylpyrazol-4-yl)-N-(2,3-dihydro-1-benzofuran-4-ylmethyl)-[1,2,4]triazolo[4,3-c]pyrimidin-5-amine is sourced from PubChem (CID 121432905), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).