(5S)-5-propan-2-yl-6,7-dihydro-5H-pyrrolo[1,2-b][1,2,4]triazole

C8H13N3 — CID 58125122

IUPAC(5S)-5-propan-2-yl-6,7-dihydro-5H-pyrrolo[1,2-b][1,2,4]triazole
SMILESCC(C)[C@@H]1CCc2ncnn21
InChIInChI=1S/C8H13N3/c1-6(2)7-3-4-8-9-5-10-11(7)8/h5-7H,3-4H2,1-2H3/t7-/m0/s1
InChIKeyPBVZNOSVOFPANY-ZETCQYMHSA-N
MW151.21 g/mol
LogP1.42
Rot. Bonds1

About (5S)-5-propan-2-yl-6,7-dihydro-5H-pyrrolo[1,2-b][1,2,4]triazole

(5S)-5-propan-2-yl-6,7-dihydro-5H-pyrrolo[1,2-b][1,2,4]triazole (PubChem CID 58125122) has the molecular formula C8H13N3 and a molecular weight of 151.21 g/mol. Its IUPAC name is (5S)-5-propan-2-yl-6,7-dihydro-5H-pyrrolo[1,2-b][1,2,4]triazole.

Molecular Properties

Compound Name(5S)-5-propan-2-yl-6,7-dihydro-5H-pyrrolo[1,2-b][1,2,4]triazole
PubChem CID58125122
Molecular FormulaC8H13N3
Molecular Weight151.21 g/mol
Exact Mass151.11
IUPAC Name(5S)-5-propan-2-yl-6,7-dihydro-5H-pyrrolo[1,2-b][1,2,4]triazole
SMILESCC(C)[C@@H]1CCc2ncnn21
InChIInChI=1S/C8H13N3/c1-6(2)7-3-4-8-9-5-10-11(7)8/h5-7H,3-4H2,1-2H3/t7-/m0/s1
InChIKeyPBVZNOSVOFPANY-ZETCQYMHSA-N
XLogP1.42
TPSA30.71 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500151.21
LogP ≤ 51.42
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of (5S)-5-propan-2-yl-6,7-dihydro-5H-pyrrolo[1,2-b][1,2,4]triazole?
The IUPAC name of (5S)-5-propan-2-yl-6,7-dihydro-5H-pyrrolo[1,2-b][1,2,4]triazole (CID 58125122) is (5S)-5-propan-2-yl-6,7-dihydro-5H-pyrrolo[1,2-b][1,2,4]triazole.
What is the SMILES notation for (5S)-5-propan-2-yl-6,7-dihydro-5H-pyrrolo[1,2-b][1,2,4]triazole?
The canonical SMILES for (5S)-5-propan-2-yl-6,7-dihydro-5H-pyrrolo[1,2-b][1,2,4]triazole is CC(C)[C@@H]1CCc2ncnn21.
What is the InChIKey of (5S)-5-propan-2-yl-6,7-dihydro-5H-pyrrolo[1,2-b][1,2,4]triazole?
The InChIKey is PBVZNOSVOFPANY-ZETCQYMHSA-N. The full InChI is InChI=1S/C8H13N3/c1-6(2)7-3-4-8-9-5-10-11(7)8/h5-7H,3-4H2,1-2H3/t7-/m0/s1.
What are the key properties of (5S)-5-propan-2-yl-6,7-dihydro-5H-pyrrolo[1,2-b][1,2,4]triazole?
(5S)-5-propan-2-yl-6,7-dihydro-5H-pyrrolo[1,2-b][1,2,4]triazole has a molecular weight of 151.21 g/mol, XLogP of 1.42, 1 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (5S)-5-propan-2-yl-6,7-dihydro-5H-pyrrolo[1,2-b][1,2,4]triazole is sourced from PubChem (CID 58125122), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).