[(5S)-5-methyl-3-propan-2-yl-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl]-(1H-pyrazol-5-yl)methanone

C13H18N6O — CID 164696010

IUPAC[(5S)-5-methyl-3-propan-2-yl-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl]-(1H-pyrazol-5-yl)methanone
SMILESCC(C)c1nnc2n1[C@@H](C)CN(C(=O)c1ccn[nH]1)C2
InChIInChI=1S/C13H18N6O/c1-8(2)12-17-16-11-7-18(6-9(3)19(11)12)13(20)10-4-5-14-15-10/h4-5,8-9H,6-7H2,1-3H3,(H,14,15)/t9-/m0/s1
InChIKeyWWFRNBPTVLOREJ-VIFPVBQESA-N
MW274.33 g/mol
LogP1.34
Rot. Bonds2

About [(5S)-5-methyl-3-propan-2-yl-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl]-(1H-pyrazol-5-yl)methanone

[(5S)-5-methyl-3-propan-2-yl-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl]-(1H-pyrazol-5-yl)methanone (PubChem CID 164696010) has the molecular formula C13H18N6O and a molecular weight of 274.33 g/mol. Its IUPAC name is [(5S)-5-methyl-3-propan-2-yl-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl]-(1H-pyrazol-5-yl)methanone.

Molecular Properties

Compound Name[(5S)-5-methyl-3-propan-2-yl-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl]-(1H-pyrazol-5-yl)methanone
PubChem CID164696010
Molecular FormulaC13H18N6O
Molecular Weight274.33 g/mol
Exact Mass274.15
IUPAC Name[(5S)-5-methyl-3-propan-2-yl-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl]-(1H-pyrazol-5-yl)methanone
SMILESCC(C)c1nnc2n1[C@@H](C)CN(C(=O)c1ccn[nH]1)C2
InChIInChI=1S/C13H18N6O/c1-8(2)12-17-16-11-7-18(6-9(3)19(11)12)13(20)10-4-5-14-15-10/h4-5,8-9H,6-7H2,1-3H3,(H,14,15)/t9-/m0/s1
InChIKeyWWFRNBPTVLOREJ-VIFPVBQESA-N
XLogP1.34
TPSA79.70 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500274.33
LogP ≤ 51.34
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze [(5S)-5-methyl-3-propan-2-yl-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl]-(1H-pyrazol-5-yl)methanone with MolForge

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Frequently Asked Questions

What is the IUPAC name of [(5S)-5-methyl-3-propan-2-yl-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl]-(1H-pyrazol-5-yl)methanone?
The IUPAC name of [(5S)-5-methyl-3-propan-2-yl-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl]-(1H-pyrazol-5-yl)methanone (CID 164696010) is [(5S)-5-methyl-3-propan-2-yl-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl]-(1H-pyrazol-5-yl)methanone.
What is the SMILES notation for [(5S)-5-methyl-3-propan-2-yl-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl]-(1H-pyrazol-5-yl)methanone?
The canonical SMILES for [(5S)-5-methyl-3-propan-2-yl-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl]-(1H-pyrazol-5-yl)methanone is CC(C)c1nnc2n1[C@@H](C)CN(C(=O)c1ccn[nH]1)C2.
What is the InChIKey of [(5S)-5-methyl-3-propan-2-yl-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl]-(1H-pyrazol-5-yl)methanone?
The InChIKey is WWFRNBPTVLOREJ-VIFPVBQESA-N. The full InChI is InChI=1S/C13H18N6O/c1-8(2)12-17-16-11-7-18(6-9(3)19(11)12)13(20)10-4-5-14-15-10/h4-5,8-9H,6-7H2,1-3H3,(H,14,15)/t9-/m0/s1.
What are the key properties of [(5S)-5-methyl-3-propan-2-yl-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl]-(1H-pyrazol-5-yl)methanone?
[(5S)-5-methyl-3-propan-2-yl-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl]-(1H-pyrazol-5-yl)methanone has a molecular weight of 274.33 g/mol, XLogP of 1.34, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [(5S)-5-methyl-3-propan-2-yl-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl]-(1H-pyrazol-5-yl)methanone is sourced from PubChem (CID 164696010), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).