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

C14H20N6OS — CID 136564565

IUPACN,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
SMILESCc1nnc2n1CC(C(=O)N(C)C)N(CCc1cncs1)C2
InChIInChI=1S/C14H20N6OS/c1-10-16-17-13-8-19(5-4-11-6-15-9-22-11)12(7-20(10)13)14(21)18(2)3/h6,9,12H,4-5,7-8H2,1-3H3
InChIKeyUXYLZHAKVKSQNZ-UHFFFAOYSA-N
MW320.42 g/mol
LogP0.56
Rot. Bonds4

About 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

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 (PubChem CID 136564565) has the molecular formula C14H20N6OS and a molecular weight of 320.42 g/mol. Its IUPAC name is 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.

Molecular Properties

Compound NameN,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
PubChem CID136564565
Molecular FormulaC14H20N6OS
Molecular Weight320.42 g/mol
Exact Mass320.14
IUPAC NameN,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
SMILESCc1nnc2n1CC(C(=O)N(C)C)N(CCc1cncs1)C2
InChIInChI=1S/C14H20N6OS/c1-10-16-17-13-8-19(5-4-11-6-15-9-22-11)12(7-20(10)13)14(21)18(2)3/h6,9,12H,4-5,7-8H2,1-3H3
InChIKeyUXYLZHAKVKSQNZ-UHFFFAOYSA-N
XLogP0.56
TPSA67.15 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500320.42
LogP ≤ 50.56
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

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Related Compounds

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
7-[2-(furan-3-yl)acetyl]-N,N,3-trimethyl-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazine-6-carboxamide
CID 136568031
7-[(2-cyclopentyl-1,3-thiazol-5-yl)methyl]-3-methyl-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazine-6-carboxylic acid
CID 122046659
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-[(2,4,5-trifluorophenyl)methyl]-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazine-6-carboxylic acid
CID 122046657
N-methyl-N-[1-(1,3-thiazol-5-ylmethyl)piperidin-3-yl]cyclopropanecarboxamide
CID 166600630
7-[(6-methoxy-1,3-benzothiazol-2-yl)methyl]-3-methyl-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazine-6-carboxylic acid
CID 122046543
1-(3-tert-butylpyrrolidin-1-yl)-3-(1,3-thiazol-5-yl)propan-1-one
CID 146124213
4-(1,3-thiazol-5-yl)butanamide
CID 66579232
7-(3,3-dimethylbutylsulfonyl)-N,3-dimethyl-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazine-6-carboxamide
CID 167790286
3-(1,3-thiazol-5-yl)propanoic acid
CID 45121677
1-phenyl-3-(1,3-thiazol-5-yl)propan-1-one
CID 112641235

Frequently Asked Questions

What is the IUPAC name of 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?
The IUPAC name of 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) is 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.
What is the SMILES notation for 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?
The canonical SMILES for 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 is Cc1nnc2n1CC(C(=O)N(C)C)N(CCc1cncs1)C2.
What is the InChIKey of 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?
The InChIKey is UXYLZHAKVKSQNZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20N6OS/c1-10-16-17-13-8-19(5-4-11-6-15-9-22-11)12(7-20(10)13)14(21)18(2)3/h6,9,12H,4-5,7-8H2,1-3H3.
What are the key properties of 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?
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 has a molecular weight of 320.42 g/mol, XLogP of 0.56, 4 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 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 is sourced from PubChem (CID 136564565), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).