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

C16H26N4O — CID 164636022

IUPAC[(8S)-8-methyl-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl]-(4-propan-2-ylcyclohexyl)methanone
SMILESCC(C)C1CCC(C(=O)N2CCn3cnnc3[C@@H]2C)CC1
InChIInChI=1S/C16H26N4O/c1-11(2)13-4-6-14(7-5-13)16(21)20-9-8-19-10-17-18-15(19)12(20)3/h10-14H,4-9H2,1-3H3/t12-,13?,14?/m0/s1
InChIKeyYJNAMEJUTPXUKF-HSBZDZAISA-N
MW290.41 g/mol
LogP2.64
Rot. Bonds2

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

[(8S)-8-methyl-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl]-(4-propan-2-ylcyclohexyl)methanone (PubChem CID 164636022) has the molecular formula C16H26N4O and a molecular weight of 290.41 g/mol. Its IUPAC name is [(8S)-8-methyl-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl]-(4-propan-2-ylcyclohexyl)methanone.

Molecular Properties

Compound Name[(8S)-8-methyl-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl]-(4-propan-2-ylcyclohexyl)methanone
PubChem CID164636022
Molecular FormulaC16H26N4O
Molecular Weight290.41 g/mol
Exact Mass290.21
IUPAC Name[(8S)-8-methyl-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl]-(4-propan-2-ylcyclohexyl)methanone
SMILESCC(C)C1CCC(C(=O)N2CCn3cnnc3[C@@H]2C)CC1
InChIInChI=1S/C16H26N4O/c1-11(2)13-4-6-14(7-5-13)16(21)20-9-8-19-10-17-18-15(19)12(20)3/h10-14H,4-9H2,1-3H3/t12-,13?,14?/m0/s1
InChIKeyYJNAMEJUTPXUKF-HSBZDZAISA-N
XLogP2.64
TPSA51.02 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.41
LogP ≤ 52.64
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of [(8S)-8-methyl-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl]-(4-propan-2-ylcyclohexyl)methanone?
The IUPAC name of [(8S)-8-methyl-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl]-(4-propan-2-ylcyclohexyl)methanone (CID 164636022) is [(8S)-8-methyl-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl]-(4-propan-2-ylcyclohexyl)methanone.
What is the SMILES notation for [(8S)-8-methyl-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl]-(4-propan-2-ylcyclohexyl)methanone?
The canonical SMILES for [(8S)-8-methyl-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl]-(4-propan-2-ylcyclohexyl)methanone is CC(C)C1CCC(C(=O)N2CCn3cnnc3[C@@H]2C)CC1.
What is the InChIKey of [(8S)-8-methyl-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl]-(4-propan-2-ylcyclohexyl)methanone?
The InChIKey is YJNAMEJUTPXUKF-HSBZDZAISA-N. The full InChI is InChI=1S/C16H26N4O/c1-11(2)13-4-6-14(7-5-13)16(21)20-9-8-19-10-17-18-15(19)12(20)3/h10-14H,4-9H2,1-3H3/t12-,13?,14?/m0/s1.
What are the key properties of [(8S)-8-methyl-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl]-(4-propan-2-ylcyclohexyl)methanone?
[(8S)-8-methyl-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl]-(4-propan-2-ylcyclohexyl)methanone has a molecular weight of 290.41 g/mol, XLogP of 2.64, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [(8S)-8-methyl-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl]-(4-propan-2-ylcyclohexyl)methanone is sourced from PubChem (CID 164636022), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).