3-(3-ethyl-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl)-N-[(2R)-2-methylsulfanylpropyl]azetidine-1-carboxamide

C15H26N6OS — CID 129337717

IUPAC3-(3-ethyl-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl)-N-[(2R)-2-methylsulfanylpropyl]azetidine-1-carboxamide
SMILESCCc1nnc2n1CCN(C1CN(C(=O)NC[C@@H](C)SC)C1)C2
InChIInChI=1S/C15H26N6OS/c1-4-13-17-18-14-10-19(5-6-21(13)14)12-8-20(9-12)15(22)16-7-11(2)23-3/h11-12H,4-10H2,1-3H3,(H,16,22)/t11-/m1/s1
InChIKeyMCSKQOKDSCVFPD-LLVKDONJSA-N
MW338.48 g/mol
LogP0.80
Rot. Bonds5

About 3-(3-ethyl-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl)-N-[(2R)-2-methylsulfanylpropyl]azetidine-1-carboxamide

3-(3-ethyl-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl)-N-[(2R)-2-methylsulfanylpropyl]azetidine-1-carboxamide (PubChem CID 129337717) has the molecular formula C15H26N6OS and a molecular weight of 338.48 g/mol. Its IUPAC name is 3-(3-ethyl-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl)-N-[(2R)-2-methylsulfanylpropyl]azetidine-1-carboxamide.

Molecular Properties

Compound Name3-(3-ethyl-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl)-N-[(2R)-2-methylsulfanylpropyl]azetidine-1-carboxamide
PubChem CID129337717
Molecular FormulaC15H26N6OS
Molecular Weight338.48 g/mol
Exact Mass338.19
IUPAC Name3-(3-ethyl-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl)-N-[(2R)-2-methylsulfanylpropyl]azetidine-1-carboxamide
SMILESCCc1nnc2n1CCN(C1CN(C(=O)NC[C@@H](C)SC)C1)C2
InChIInChI=1S/C15H26N6OS/c1-4-13-17-18-14-10-19(5-6-21(13)14)12-8-20(9-12)15(22)16-7-11(2)23-3/h11-12H,4-10H2,1-3H3,(H,16,22)/t11-/m1/s1
InChIKeyMCSKQOKDSCVFPD-LLVKDONJSA-N
XLogP0.80
TPSA66.29 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500338.48
LogP ≤ 50.80
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 3-(3-ethyl-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl)-N-[(2R)-2-methylsulfanylpropyl]azetidine-1-carboxamide?
The IUPAC name of 3-(3-ethyl-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl)-N-[(2R)-2-methylsulfanylpropyl]azetidine-1-carboxamide (CID 129337717) is 3-(3-ethyl-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl)-N-[(2R)-2-methylsulfanylpropyl]azetidine-1-carboxamide.
What is the SMILES notation for 3-(3-ethyl-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl)-N-[(2R)-2-methylsulfanylpropyl]azetidine-1-carboxamide?
The canonical SMILES for 3-(3-ethyl-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl)-N-[(2R)-2-methylsulfanylpropyl]azetidine-1-carboxamide is CCc1nnc2n1CCN(C1CN(C(=O)NC[C@@H](C)SC)C1)C2.
What is the InChIKey of 3-(3-ethyl-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl)-N-[(2R)-2-methylsulfanylpropyl]azetidine-1-carboxamide?
The InChIKey is MCSKQOKDSCVFPD-LLVKDONJSA-N. The full InChI is InChI=1S/C15H26N6OS/c1-4-13-17-18-14-10-19(5-6-21(13)14)12-8-20(9-12)15(22)16-7-11(2)23-3/h11-12H,4-10H2,1-3H3,(H,16,22)/t11-/m1/s1.
What are the key properties of 3-(3-ethyl-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl)-N-[(2R)-2-methylsulfanylpropyl]azetidine-1-carboxamide?
3-(3-ethyl-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl)-N-[(2R)-2-methylsulfanylpropyl]azetidine-1-carboxamide has a molecular weight of 338.48 g/mol, XLogP of 0.80, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(3-ethyl-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl)-N-[(2R)-2-methylsulfanylpropyl]azetidine-1-carboxamide is sourced from PubChem (CID 129337717), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).