(3-amino-1H-1,2,4-triazol-5-yl)-[(1R)-1-methyl-3,4-dihydro-1H-pyrrolo[1,2-a]pyrazin-2-yl]methanone

C11H14N6O — CID 95398985

IUPAC(3-amino-1H-1,2,4-triazol-5-yl)-[(1R)-1-methyl-3,4-dihydro-1H-pyrrolo[1,2-a]pyrazin-2-yl]methanone
SMILESC[C@@H]1c2cccn2CCN1C(=O)c1nc(N)n[nH]1
InChIInChI=1S/C11H14N6O/c1-7-8-3-2-4-16(8)5-6-17(7)10(18)9-13-11(12)15-14-9/h2-4,7H,5-6H2,1H3,(H3,12,13,14,15)/t7-/m1/s1
InChIKeyBBNJHYKGBDFEKA-SSDOTTSWSA-N
MW246.27 g/mol
LogP0.41
Rot. Bonds1

About (3-amino-1H-1,2,4-triazol-5-yl)-[(1R)-1-methyl-3,4-dihydro-1H-pyrrolo[1,2-a]pyrazin-2-yl]methanone

(3-amino-1H-1,2,4-triazol-5-yl)-[(1R)-1-methyl-3,4-dihydro-1H-pyrrolo[1,2-a]pyrazin-2-yl]methanone (PubChem CID 95398985) has the molecular formula C11H14N6O and a molecular weight of 246.27 g/mol. Its IUPAC name is (3-amino-1H-1,2,4-triazol-5-yl)-[(1R)-1-methyl-3,4-dihydro-1H-pyrrolo[1,2-a]pyrazin-2-yl]methanone.

Molecular Properties

Compound Name(3-amino-1H-1,2,4-triazol-5-yl)-[(1R)-1-methyl-3,4-dihydro-1H-pyrrolo[1,2-a]pyrazin-2-yl]methanone
PubChem CID95398985
Molecular FormulaC11H14N6O
Molecular Weight246.27 g/mol
Exact Mass246.12
IUPAC Name(3-amino-1H-1,2,4-triazol-5-yl)-[(1R)-1-methyl-3,4-dihydro-1H-pyrrolo[1,2-a]pyrazin-2-yl]methanone
SMILESC[C@@H]1c2cccn2CCN1C(=O)c1nc(N)n[nH]1
InChIInChI=1S/C11H14N6O/c1-7-8-3-2-4-16(8)5-6-17(7)10(18)9-13-11(12)15-14-9/h2-4,7H,5-6H2,1H3,(H3,12,13,14,15)/t7-/m1/s1
InChIKeyBBNJHYKGBDFEKA-SSDOTTSWSA-N
XLogP0.41
TPSA92.83 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds1
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500246.27
LogP ≤ 50.41
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze (3-amino-1H-1,2,4-triazol-5-yl)-[(1R)-1-methyl-3,4-dihydro-1H-pyrrolo[1,2-a]pyrazin-2-yl]methanone with MolForge

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Related Compounds

(2E,4E)-1,6-bis(1-methyl-3,4-dihydro-1H-pyrrolo[1,2-a]pyrazin-2-yl)hexa-2,4-diene-1,6-dione
CID 166197770
(2,4-dimethyl-1,3-thiazol-5-yl)-[(1S)-1-methyl-3,4-dihydro-1H-pyrrolo[1,2-a]pyrazin-2-yl]methanone
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[6-[(1R)-1-methyl-3,4-dihydro-1H-pyrrolo[1,2-a]pyrazine-2-carbonyl]-2-pyridinyl]-pyrrolidin-1-ylmethanone
CID 95774764
(4-bromo-1H-pyrrol-2-yl)-[(1S)-1-methyl-3,4-dihydro-1H-pyrrolo[1,2-a]pyrazin-2-yl]methanone
CID 37448121
[(1R)-1-methyl-3,4-dihydro-1H-pyrrolo[1,2-a]pyrazin-2-yl]-(2-methylphenyl)methanone
CID 37452067
1-benzofuran-2-yl-[(1S)-1-methyl-3,4-dihydro-1H-pyrrolo[1,2-a]pyrazin-2-yl]methanone
CID 36569223
(4-tert-butylphenyl)-(1-methyl-3,4-dihydro-1H-pyrrolo[1,2-a]pyrazin-2-yl)methanone
CID 47022049
(4-tert-butylphenyl)-[(1S)-1-methyl-3,4-dihydro-1H-pyrrolo[1,2-a]pyrazin-2-yl]methanone
CID 36569320
(1,5-dimethylpyrazol-4-yl)-(1-methyl-3,4-dihydro-1H-pyrrolo[1,2-a]pyrazin-2-yl)methanone
CID 47025599
[4-[(dimethylamino)methyl]phenyl]-[(1S)-1-methyl-3,4-dihydro-1H-pyrrolo[1,2-a]pyrazin-2-yl]methanone
CID 95767007
(2,6-dimethylimidazo[1,2-a]pyridin-3-yl)-[(1R)-1-methyl-3,4-dihydro-1H-pyrrolo[1,2-a]pyrazin-2-yl]methanone
CID 95486362
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Frequently Asked Questions

What is the IUPAC name of (3-amino-1H-1,2,4-triazol-5-yl)-[(1R)-1-methyl-3,4-dihydro-1H-pyrrolo[1,2-a]pyrazin-2-yl]methanone?
The IUPAC name of (3-amino-1H-1,2,4-triazol-5-yl)-[(1R)-1-methyl-3,4-dihydro-1H-pyrrolo[1,2-a]pyrazin-2-yl]methanone (CID 95398985) is (3-amino-1H-1,2,4-triazol-5-yl)-[(1R)-1-methyl-3,4-dihydro-1H-pyrrolo[1,2-a]pyrazin-2-yl]methanone.
What is the SMILES notation for (3-amino-1H-1,2,4-triazol-5-yl)-[(1R)-1-methyl-3,4-dihydro-1H-pyrrolo[1,2-a]pyrazin-2-yl]methanone?
The canonical SMILES for (3-amino-1H-1,2,4-triazol-5-yl)-[(1R)-1-methyl-3,4-dihydro-1H-pyrrolo[1,2-a]pyrazin-2-yl]methanone is C[C@@H]1c2cccn2CCN1C(=O)c1nc(N)n[nH]1.
What is the InChIKey of (3-amino-1H-1,2,4-triazol-5-yl)-[(1R)-1-methyl-3,4-dihydro-1H-pyrrolo[1,2-a]pyrazin-2-yl]methanone?
The InChIKey is BBNJHYKGBDFEKA-SSDOTTSWSA-N. The full InChI is InChI=1S/C11H14N6O/c1-7-8-3-2-4-16(8)5-6-17(7)10(18)9-13-11(12)15-14-9/h2-4,7H,5-6H2,1H3,(H3,12,13,14,15)/t7-/m1/s1.
What are the key properties of (3-amino-1H-1,2,4-triazol-5-yl)-[(1R)-1-methyl-3,4-dihydro-1H-pyrrolo[1,2-a]pyrazin-2-yl]methanone?
(3-amino-1H-1,2,4-triazol-5-yl)-[(1R)-1-methyl-3,4-dihydro-1H-pyrrolo[1,2-a]pyrazin-2-yl]methanone has a molecular weight of 246.27 g/mol, XLogP of 0.41, 1 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (3-amino-1H-1,2,4-triazol-5-yl)-[(1R)-1-methyl-3,4-dihydro-1H-pyrrolo[1,2-a]pyrazin-2-yl]methanone is sourced from PubChem (CID 95398985), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).