(5R)-2-methyl-5-phenyl-6,7-dihydro-5H-pyrrolo[1,2-b][1,2,4]triazole

C12H13N3 — CID 134577395

IUPAC(5R)-2-methyl-5-phenyl-6,7-dihydro-5H-pyrrolo[1,2-b][1,2,4]triazole
SMILESCc1nc2n(n1)[C@@H](c1ccccc1)CC2
InChIInChI=1S/C12H13N3/c1-9-13-12-8-7-11(15(12)14-9)10-5-3-2-4-6-10/h2-6,11H,7-8H2,1H3/t11-/m1/s1
InChIKeyPWDANRZGSCIZHR-LLVKDONJSA-N
MW199.26 g/mol
LogP2.12
Rot. Bonds1

About (5R)-2-methyl-5-phenyl-6,7-dihydro-5H-pyrrolo[1,2-b][1,2,4]triazole

(5R)-2-methyl-5-phenyl-6,7-dihydro-5H-pyrrolo[1,2-b][1,2,4]triazole (PubChem CID 134577395) has the molecular formula C12H13N3 and a molecular weight of 199.26 g/mol. Its IUPAC name is (5R)-2-methyl-5-phenyl-6,7-dihydro-5H-pyrrolo[1,2-b][1,2,4]triazole.

Molecular Properties

Compound Name(5R)-2-methyl-5-phenyl-6,7-dihydro-5H-pyrrolo[1,2-b][1,2,4]triazole
PubChem CID134577395
Molecular FormulaC12H13N3
Molecular Weight199.26 g/mol
Exact Mass199.11
IUPAC Name(5R)-2-methyl-5-phenyl-6,7-dihydro-5H-pyrrolo[1,2-b][1,2,4]triazole
SMILESCc1nc2n(n1)[C@@H](c1ccccc1)CC2
InChIInChI=1S/C12H13N3/c1-9-13-12-8-7-11(15(12)14-9)10-5-3-2-4-6-10/h2-6,11H,7-8H2,1H3/t11-/m1/s1
InChIKeyPWDANRZGSCIZHR-LLVKDONJSA-N
XLogP2.12
TPSA30.71 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500199.26
LogP ≤ 52.12
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of (5R)-2-methyl-5-phenyl-6,7-dihydro-5H-pyrrolo[1,2-b][1,2,4]triazole?
The IUPAC name of (5R)-2-methyl-5-phenyl-6,7-dihydro-5H-pyrrolo[1,2-b][1,2,4]triazole (CID 134577395) is (5R)-2-methyl-5-phenyl-6,7-dihydro-5H-pyrrolo[1,2-b][1,2,4]triazole.
What is the SMILES notation for (5R)-2-methyl-5-phenyl-6,7-dihydro-5H-pyrrolo[1,2-b][1,2,4]triazole?
The canonical SMILES for (5R)-2-methyl-5-phenyl-6,7-dihydro-5H-pyrrolo[1,2-b][1,2,4]triazole is Cc1nc2n(n1)[C@@H](c1ccccc1)CC2.
What is the InChIKey of (5R)-2-methyl-5-phenyl-6,7-dihydro-5H-pyrrolo[1,2-b][1,2,4]triazole?
The InChIKey is PWDANRZGSCIZHR-LLVKDONJSA-N. The full InChI is InChI=1S/C12H13N3/c1-9-13-12-8-7-11(15(12)14-9)10-5-3-2-4-6-10/h2-6,11H,7-8H2,1H3/t11-/m1/s1.
What are the key properties of (5R)-2-methyl-5-phenyl-6,7-dihydro-5H-pyrrolo[1,2-b][1,2,4]triazole?
(5R)-2-methyl-5-phenyl-6,7-dihydro-5H-pyrrolo[1,2-b][1,2,4]triazole has a molecular weight of 199.26 g/mol, XLogP of 2.12, 1 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (5R)-2-methyl-5-phenyl-6,7-dihydro-5H-pyrrolo[1,2-b][1,2,4]triazole is sourced from PubChem (CID 134577395), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).