7-[2-(4-ethylphenyl)ethyl]-N,N,3-trimethyl-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazine-6-carboxamide

C19H27N5O — CID 167754634

IUPAC7-[2-(4-ethylphenyl)ethyl]-N,N,3-trimethyl-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazine-6-carboxamide
SMILESCCc1ccc(CCN2Cc3nnc(C)n3CC2C(=O)N(C)C)cc1
InChIInChI=1S/C19H27N5O/c1-5-15-6-8-16(9-7-15)10-11-23-13-18-21-20-14(2)24(18)12-17(23)19(25)22(3)4/h6-9,17H,5,10-13H2,1-4H3
InChIKeyUKENICLDBWQKMX-UHFFFAOYSA-N
MW341.46 g/mol
LogP1.66
Rot. Bonds5

About 7-[2-(4-ethylphenyl)ethyl]-N,N,3-trimethyl-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazine-6-carboxamide

7-[2-(4-ethylphenyl)ethyl]-N,N,3-trimethyl-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazine-6-carboxamide (PubChem CID 167754634) has the molecular formula C19H27N5O and a molecular weight of 341.46 g/mol. Its IUPAC name is 7-[2-(4-ethylphenyl)ethyl]-N,N,3-trimethyl-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazine-6-carboxamide.

Molecular Properties

Compound Name7-[2-(4-ethylphenyl)ethyl]-N,N,3-trimethyl-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazine-6-carboxamide
PubChem CID167754634
Molecular FormulaC19H27N5O
Molecular Weight341.46 g/mol
Exact Mass341.22
IUPAC Name7-[2-(4-ethylphenyl)ethyl]-N,N,3-trimethyl-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazine-6-carboxamide
SMILESCCc1ccc(CCN2Cc3nnc(C)n3CC2C(=O)N(C)C)cc1
InChIInChI=1S/C19H27N5O/c1-5-15-6-8-16(9-7-15)10-11-23-13-18-21-20-14(2)24(18)12-17(23)19(25)22(3)4/h6-9,17H,5,10-13H2,1-4H3
InChIKeyUKENICLDBWQKMX-UHFFFAOYSA-N
XLogP1.66
TPSA54.26 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500341.46
LogP ≤ 51.66
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

N,N,3-trimethyl-7-[2-(1,3-thiazol-5-yl)ethyl]-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazine-6-carboxamide
CID 136564565
7-[[4-fluoro-3-(trifluoromethyl)phenyl]methyl]-3-methyl-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazine-6-carboxylic acid
CID 122046641
7-[(4-ethoxy-3-fluorophenyl)methyl]-3-methyl-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazine-6-carboxylic acid
CID 122046534
7-[(2,3-dichloro-4-fluorophenyl)methyl]-3-methyl-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazine-6-carboxylic acid
CID 122046550
3-methyl-7-[(2,4,5-trifluorophenyl)methyl]-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazine-6-carboxylic acid
CID 122046657
3-methyl-7-[(5-methylsulfanylthiophen-2-yl)methyl]-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazine-6-carboxylic acid
CID 122046536
1-[3-(4-ethylphenyl)propanoyl]-N,N-dimethylpiperidine-4-carboxamide
CID 84514231
7-[[5-(4-chlorophenyl)thiophen-2-yl]methyl]-3-methyl-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazine-6-carboxylic acid
CID 122046509
7-(4-benzylpiperidine-1-carbonyl)-3-methyl-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazine-6-carboxylic acid
CID 122072792
7-[(4-hydroxy-3-methoxy-5-prop-2-enylphenyl)methyl]-3-methyl-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazine-6-carboxylic acid
CID 122046428
N-[4-(dimethylamino)pyrimidin-5-yl]-3,7-dimethyl-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazine-6-carboxamide
CID 167924110
3-methyl-7-(2,3,5,6-tetramethylphenyl)sulfonyl-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazine-6-carboxylic acid
CID 122072705

Frequently Asked Questions

What is the IUPAC name of 7-[2-(4-ethylphenyl)ethyl]-N,N,3-trimethyl-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazine-6-carboxamide?
The IUPAC name of 7-[2-(4-ethylphenyl)ethyl]-N,N,3-trimethyl-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazine-6-carboxamide (CID 167754634) is 7-[2-(4-ethylphenyl)ethyl]-N,N,3-trimethyl-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazine-6-carboxamide.
What is the SMILES notation for 7-[2-(4-ethylphenyl)ethyl]-N,N,3-trimethyl-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazine-6-carboxamide?
The canonical SMILES for 7-[2-(4-ethylphenyl)ethyl]-N,N,3-trimethyl-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazine-6-carboxamide is CCc1ccc(CCN2Cc3nnc(C)n3CC2C(=O)N(C)C)cc1.
What is the InChIKey of 7-[2-(4-ethylphenyl)ethyl]-N,N,3-trimethyl-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazine-6-carboxamide?
The InChIKey is UKENICLDBWQKMX-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H27N5O/c1-5-15-6-8-16(9-7-15)10-11-23-13-18-21-20-14(2)24(18)12-17(23)19(25)22(3)4/h6-9,17H,5,10-13H2,1-4H3.
What are the key properties of 7-[2-(4-ethylphenyl)ethyl]-N,N,3-trimethyl-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazine-6-carboxamide?
7-[2-(4-ethylphenyl)ethyl]-N,N,3-trimethyl-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazine-6-carboxamide has a molecular weight of 341.46 g/mol, XLogP of 1.66, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 7-[2-(4-ethylphenyl)ethyl]-N,N,3-trimethyl-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazine-6-carboxamide is sourced from PubChem (CID 167754634), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).