N,N-dimethyl-2-[7-(thiophen-3-ylmethyl)-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-3-yl]acetamide

C14H19N5OS — CID 134690321

IUPACN,N-dimethyl-2-[7-(thiophen-3-ylmethyl)-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-3-yl]acetamide
SMILESCN(C)C(=O)Cc1nnc2n1CCN(Cc1ccsc1)C2
InChIInChI=1S/C14H19N5OS/c1-17(2)14(20)7-12-15-16-13-9-18(4-5-19(12)13)8-11-3-6-21-10-11/h3,6,10H,4-5,7-9H2,1-2H3
InChIKeyRSTQDHVNWDGFCM-UHFFFAOYSA-N
MW305.41 g/mol
LogP0.99
Rot. Bonds4

About N,N-dimethyl-2-[7-(thiophen-3-ylmethyl)-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-3-yl]acetamide

N,N-dimethyl-2-[7-(thiophen-3-ylmethyl)-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-3-yl]acetamide (PubChem CID 134690321) has the molecular formula C14H19N5OS and a molecular weight of 305.41 g/mol. Its IUPAC name is N,N-dimethyl-2-[7-(thiophen-3-ylmethyl)-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-3-yl]acetamide.

Molecular Properties

Compound NameN,N-dimethyl-2-[7-(thiophen-3-ylmethyl)-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-3-yl]acetamide
PubChem CID134690321
Molecular FormulaC14H19N5OS
Molecular Weight305.41 g/mol
Exact Mass305.13
IUPAC NameN,N-dimethyl-2-[7-(thiophen-3-ylmethyl)-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-3-yl]acetamide
SMILESCN(C)C(=O)Cc1nnc2n1CCN(Cc1ccsc1)C2
InChIInChI=1S/C14H19N5OS/c1-17(2)14(20)7-12-15-16-13-9-18(4-5-19(12)13)8-11-3-6-21-10-11/h3,6,10H,4-5,7-9H2,1-2H3
InChIKeyRSTQDHVNWDGFCM-UHFFFAOYSA-N
XLogP0.99
TPSA54.26 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500305.41
LogP ≤ 50.99
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

3-(methoxymethyl)-7-(thiophen-3-ylmethyl)-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazine
CID 97405234
N,N-dimethyl-2-[[7-[(5-methylthiophen-2-yl)methyl]-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-3-yl]methoxy]acetamide
CID 97405245
N,N-dimethyl-2-[[7-(thiophen-3-ylmethyl)-5,6,8,9-tetrahydro-[1,2,4]triazolo[4,3-d][1,4]diazepin-3-yl]methoxy]ethanamine
CID 97381522
N-[[7-(thiophen-3-ylmethyl)-5,6,8,9-tetrahydro-[1,2,4]triazolo[4,3-d][1,4]diazepin-3-yl]methyl]pyridine-2-carboxamide
CID 42321021
N-[[7-(thiophen-3-ylmethyl)-6,8-dihydro-5H-imidazo[1,2-a]pyrazin-3-yl]methyl]cyclopropanecarboxamide
CID 97471224
ethyl 4-(thiophen-3-ylmethyl)piperazine-1-carboxylate
CID 30981151
N,N-dimethyl-5-(thiophen-3-ylmethyl)-4,6-dihydro-1H-pyrrolo[3,4-d]pyrazole-3-carboxamide
CID 97461962
2-pyridin-4-yl-7-(thiophen-3-ylmethyl)-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-3-one
CID 134793313
N,N-dimethyl-2-[(7S)-5-(thiophen-3-ylmethyl)-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-7-yl]acetamide
CID 124801276
1-(6,7-dihydro-5H-pyrrolo[2,1-c][1,2,4]triazol-3-ylmethyl)-1-methyl-3-(2-thiophen-3-ylethyl)urea
CID 53499166
1-methyl-N-[[7-(thiophen-3-ylmethyl)-6,8-dihydro-5H-imidazo[1,2-a]pyrazin-3-yl]methyl]pyrrole-2-carboxamide
CID 97384483
ethyl N-methyl-N-[1-(thiophen-3-ylmethyl)piperidin-4-yl]carbamate
CID 75439221

Frequently Asked Questions

What is the IUPAC name of N,N-dimethyl-2-[7-(thiophen-3-ylmethyl)-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-3-yl]acetamide?
The IUPAC name of N,N-dimethyl-2-[7-(thiophen-3-ylmethyl)-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-3-yl]acetamide (CID 134690321) is N,N-dimethyl-2-[7-(thiophen-3-ylmethyl)-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-3-yl]acetamide.
What is the SMILES notation for N,N-dimethyl-2-[7-(thiophen-3-ylmethyl)-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-3-yl]acetamide?
The canonical SMILES for N,N-dimethyl-2-[7-(thiophen-3-ylmethyl)-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-3-yl]acetamide is CN(C)C(=O)Cc1nnc2n1CCN(Cc1ccsc1)C2.
What is the InChIKey of N,N-dimethyl-2-[7-(thiophen-3-ylmethyl)-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-3-yl]acetamide?
The InChIKey is RSTQDHVNWDGFCM-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19N5OS/c1-17(2)14(20)7-12-15-16-13-9-18(4-5-19(12)13)8-11-3-6-21-10-11/h3,6,10H,4-5,7-9H2,1-2H3.
What are the key properties of N,N-dimethyl-2-[7-(thiophen-3-ylmethyl)-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-3-yl]acetamide?
N,N-dimethyl-2-[7-(thiophen-3-ylmethyl)-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-3-yl]acetamide has a molecular weight of 305.41 g/mol, XLogP of 0.99, 4 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N,N-dimethyl-2-[7-(thiophen-3-ylmethyl)-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-3-yl]acetamide is sourced from PubChem (CID 134690321), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).