(5S)-5-(6-methylpyrazin-2-yl)-2,5,6,7-tetrahydropyrrolo[2,1-c][1,2,4]triazol-3-one

C10H11N5O — CID 175958533

IUPAC(5S)-5-(6-methylpyrazin-2-yl)-2,5,6,7-tetrahydropyrrolo[2,1-c][1,2,4]triazol-3-one
SMILESCc1cncc([C@@H]2CCc3n[nH]c(=O)n32)n1
InChIInChI=1S/C10H11N5O/c1-6-4-11-5-7(12-6)8-2-3-9-13-14-10(16)15(8)9/h4-5,8H,2-3H2,1H3,(H,14,16)/t8-/m0/s1
InChIKeyKKTHHLNBFWMBHX-QMMMGPOBSA-N
MW217.23 g/mol
LogP0.21
Rot. Bonds1

About (5S)-5-(6-methylpyrazin-2-yl)-2,5,6,7-tetrahydropyrrolo[2,1-c][1,2,4]triazol-3-one

(5S)-5-(6-methylpyrazin-2-yl)-2,5,6,7-tetrahydropyrrolo[2,1-c][1,2,4]triazol-3-one (PubChem CID 175958533) has the molecular formula C10H11N5O and a molecular weight of 217.23 g/mol. Its IUPAC name is (5S)-5-(6-methylpyrazin-2-yl)-2,5,6,7-tetrahydropyrrolo[2,1-c][1,2,4]triazol-3-one.

Molecular Properties

Compound Name(5S)-5-(6-methylpyrazin-2-yl)-2,5,6,7-tetrahydropyrrolo[2,1-c][1,2,4]triazol-3-one
PubChem CID175958533
Molecular FormulaC10H11N5O
Molecular Weight217.23 g/mol
Exact Mass217.10
IUPAC Name(5S)-5-(6-methylpyrazin-2-yl)-2,5,6,7-tetrahydropyrrolo[2,1-c][1,2,4]triazol-3-one
SMILESCc1cncc([C@@H]2CCc3n[nH]c(=O)n32)n1
InChIInChI=1S/C10H11N5O/c1-6-4-11-5-7(12-6)8-2-3-9-13-14-10(16)15(8)9/h4-5,8H,2-3H2,1H3,(H,14,16)/t8-/m0/s1
InChIKeyKKTHHLNBFWMBHX-QMMMGPOBSA-N
XLogP0.21
TPSA76.46 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500217.23
LogP ≤ 50.21
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

5-(3-chloro-5-fluoro-4-methylphenyl)-2,5,6,7-tetrahydropyrrolo[2,1-c][1,2,4]triazol-3-one
CID 170345708
3-oxo-6-(trifluoromethyl)-5,6,7,8-tetrahydro-2H-[1,2,4]triazolo[4,3-a]pyridine-5-carboxylic acid
CID 138629674
5-(3-methoxyoxiran-2-yl)-2,5,6,7-tetrahydropyrrolo[2,1-c][1,2,4]triazol-3-one
CID 163778896
methyl (5S)-3-oxo-2,5,6,7-tetrahydropyrrolo[2,1-c][1,2,4]triazole-5-carboxylate
CID 124603306
2-[(2S)-2-(6-methylpyrazin-2-yl)pyrrolidin-1-yl]acetamide
CID 95821390
2,2-dimethyl-1-[(3S)-3-(6-methylpyrazin-2-yl)-1,2-oxazolidin-2-yl]propan-1-one
CID 129188723
2-[(2S)-1-(1H-imidazol-5-ylmethyl)pyrrolidin-2-yl]-6-methylpyrazine
CID 125010300
2-[(2R)-1-(1H-imidazol-5-ylmethyl)pyrrolidin-2-yl]-6-methylpyrazine
CID 125010299
(3R)-3-(6-methylpyrazin-2-yl)-1-azabicyclo[2.2.1]heptane
CID 71458009
2-methyl-6-[(2S)-1-[(5-methyl-1H-imidazol-4-yl)methyl]pyrrolidin-2-yl]pyrazine
CID 125006832
N,N-dimethyl-4-(6-methylpyrazin-2-yl)piperidine-1-sulfonamide
CID 95845148
2-methyl-6-[1-(oxan-4-ylmethyl)pyrrolidin-2-yl]pyrazine
CID 110096404

Frequently Asked Questions

What is the IUPAC name of (5S)-5-(6-methylpyrazin-2-yl)-2,5,6,7-tetrahydropyrrolo[2,1-c][1,2,4]triazol-3-one?
The IUPAC name of (5S)-5-(6-methylpyrazin-2-yl)-2,5,6,7-tetrahydropyrrolo[2,1-c][1,2,4]triazol-3-one (CID 175958533) is (5S)-5-(6-methylpyrazin-2-yl)-2,5,6,7-tetrahydropyrrolo[2,1-c][1,2,4]triazol-3-one.
What is the SMILES notation for (5S)-5-(6-methylpyrazin-2-yl)-2,5,6,7-tetrahydropyrrolo[2,1-c][1,2,4]triazol-3-one?
The canonical SMILES for (5S)-5-(6-methylpyrazin-2-yl)-2,5,6,7-tetrahydropyrrolo[2,1-c][1,2,4]triazol-3-one is Cc1cncc([C@@H]2CCc3n[nH]c(=O)n32)n1.
What is the InChIKey of (5S)-5-(6-methylpyrazin-2-yl)-2,5,6,7-tetrahydropyrrolo[2,1-c][1,2,4]triazol-3-one?
The InChIKey is KKTHHLNBFWMBHX-QMMMGPOBSA-N. The full InChI is InChI=1S/C10H11N5O/c1-6-4-11-5-7(12-6)8-2-3-9-13-14-10(16)15(8)9/h4-5,8H,2-3H2,1H3,(H,14,16)/t8-/m0/s1.
What are the key properties of (5S)-5-(6-methylpyrazin-2-yl)-2,5,6,7-tetrahydropyrrolo[2,1-c][1,2,4]triazol-3-one?
(5S)-5-(6-methylpyrazin-2-yl)-2,5,6,7-tetrahydropyrrolo[2,1-c][1,2,4]triazol-3-one has a molecular weight of 217.23 g/mol, XLogP of 0.21, 1 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (5S)-5-(6-methylpyrazin-2-yl)-2,5,6,7-tetrahydropyrrolo[2,1-c][1,2,4]triazol-3-one is sourced from PubChem (CID 175958533), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).