7-chloro-5-methyl-N-(2,3,6,7-tetrahydro-1-benzofuran-5-ylmethyl)-[1,2,4]triazolo[1,5-a]pyrimidin-2-amine

C15H16ClN5O — CID 145077931

IUPAC7-chloro-5-methyl-N-(2,3,6,7-tetrahydro-1-benzofuran-5-ylmethyl)-[1,2,4]triazolo[1,5-a]pyrimidin-2-amine
SMILESCc1cc(Cl)n2nc(NCC3=CC4=C(CC3)OCC4)nc2n1
InChIInChI=1S/C15H16ClN5O/c1-9-6-13(16)21-15(18-9)19-14(20-21)17-8-10-2-3-12-11(7-10)4-5-22-12/h6-7H,2-5,8H2,1H3,(H,17,20)
InChIKeyGPUDGUIYGPCINI-UHFFFAOYSA-N
MW317.78 g/mol
LogP2.89
Rot. Bonds3

About 7-chloro-5-methyl-N-(2,3,6,7-tetrahydro-1-benzofuran-5-ylmethyl)-[1,2,4]triazolo[1,5-a]pyrimidin-2-amine

7-chloro-5-methyl-N-(2,3,6,7-tetrahydro-1-benzofuran-5-ylmethyl)-[1,2,4]triazolo[1,5-a]pyrimidin-2-amine (PubChem CID 145077931) has the molecular formula C15H16ClN5O and a molecular weight of 317.78 g/mol. Its IUPAC name is 7-chloro-5-methyl-N-(2,3,6,7-tetrahydro-1-benzofuran-5-ylmethyl)-[1,2,4]triazolo[1,5-a]pyrimidin-2-amine.

Molecular Properties

Compound Name7-chloro-5-methyl-N-(2,3,6,7-tetrahydro-1-benzofuran-5-ylmethyl)-[1,2,4]triazolo[1,5-a]pyrimidin-2-amine
PubChem CID145077931
Molecular FormulaC15H16ClN5O
Molecular Weight317.78 g/mol
Exact Mass317.10
IUPAC Name7-chloro-5-methyl-N-(2,3,6,7-tetrahydro-1-benzofuran-5-ylmethyl)-[1,2,4]triazolo[1,5-a]pyrimidin-2-amine
SMILESCc1cc(Cl)n2nc(NCC3=CC4=C(CC3)OCC4)nc2n1
InChIInChI=1S/C15H16ClN5O/c1-9-6-13(16)21-15(18-9)19-14(20-21)17-8-10-2-3-12-11(7-10)4-5-22-12/h6-7H,2-5,8H2,1H3,(H,17,20)
InChIKeyGPUDGUIYGPCINI-UHFFFAOYSA-N
XLogP2.89
TPSA64.34 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500317.78
LogP ≤ 52.89
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 7-chloro-5-methyl-N-(2,3,6,7-tetrahydro-1-benzofuran-5-ylmethyl)-[1,2,4]triazolo[1,5-a]pyrimidin-2-amine?
The IUPAC name of 7-chloro-5-methyl-N-(2,3,6,7-tetrahydro-1-benzofuran-5-ylmethyl)-[1,2,4]triazolo[1,5-a]pyrimidin-2-amine (CID 145077931) is 7-chloro-5-methyl-N-(2,3,6,7-tetrahydro-1-benzofuran-5-ylmethyl)-[1,2,4]triazolo[1,5-a]pyrimidin-2-amine.
What is the SMILES notation for 7-chloro-5-methyl-N-(2,3,6,7-tetrahydro-1-benzofuran-5-ylmethyl)-[1,2,4]triazolo[1,5-a]pyrimidin-2-amine?
The canonical SMILES for 7-chloro-5-methyl-N-(2,3,6,7-tetrahydro-1-benzofuran-5-ylmethyl)-[1,2,4]triazolo[1,5-a]pyrimidin-2-amine is Cc1cc(Cl)n2nc(NCC3=CC4=C(CC3)OCC4)nc2n1.
What is the InChIKey of 7-chloro-5-methyl-N-(2,3,6,7-tetrahydro-1-benzofuran-5-ylmethyl)-[1,2,4]triazolo[1,5-a]pyrimidin-2-amine?
The InChIKey is GPUDGUIYGPCINI-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H16ClN5O/c1-9-6-13(16)21-15(18-9)19-14(20-21)17-8-10-2-3-12-11(7-10)4-5-22-12/h6-7H,2-5,8H2,1H3,(H,17,20).
What are the key properties of 7-chloro-5-methyl-N-(2,3,6,7-tetrahydro-1-benzofuran-5-ylmethyl)-[1,2,4]triazolo[1,5-a]pyrimidin-2-amine?
7-chloro-5-methyl-N-(2,3,6,7-tetrahydro-1-benzofuran-5-ylmethyl)-[1,2,4]triazolo[1,5-a]pyrimidin-2-amine has a molecular weight of 317.78 g/mol, XLogP of 2.89, 3 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 7-chloro-5-methyl-N-(2,3,6,7-tetrahydro-1-benzofuran-5-ylmethyl)-[1,2,4]triazolo[1,5-a]pyrimidin-2-amine is sourced from PubChem (CID 145077931), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).