3-methyl-N-[(6-oxo-7-propan-2-yl-5,7-dihydro-4H-triazolo[1,5-a]pyrazin-3-yl)methyl]thiophene-2-carboxamide

C15H19N5O2S — CID 146070934

IUPAC3-methyl-N-[(6-oxo-7-propan-2-yl-5,7-dihydro-4H-triazolo[1,5-a]pyrazin-3-yl)methyl]thiophene-2-carboxamide
SMILESCc1ccsc1C(=O)NCc1nnn2c1CNC(=O)C2C(C)C
InChIInChI=1S/C15H19N5O2S/c1-8(2)12-14(21)17-7-11-10(18-19-20(11)12)6-16-15(22)13-9(3)4-5-23-13/h4-5,8,12H,6-7H2,1-3H3,(H,16,22)(H,17,21)
InChIKeyXTDQQFFJPJJFQO-UHFFFAOYSA-N
MW333.42 g/mol
LogP1.40
Rot. Bonds4

About 3-methyl-N-[(6-oxo-7-propan-2-yl-5,7-dihydro-4H-triazolo[1,5-a]pyrazin-3-yl)methyl]thiophene-2-carboxamide

3-methyl-N-[(6-oxo-7-propan-2-yl-5,7-dihydro-4H-triazolo[1,5-a]pyrazin-3-yl)methyl]thiophene-2-carboxamide (PubChem CID 146070934) has the molecular formula C15H19N5O2S and a molecular weight of 333.42 g/mol. Its IUPAC name is 3-methyl-N-[(6-oxo-7-propan-2-yl-5,7-dihydro-4H-triazolo[1,5-a]pyrazin-3-yl)methyl]thiophene-2-carboxamide.

Molecular Properties

Compound Name3-methyl-N-[(6-oxo-7-propan-2-yl-5,7-dihydro-4H-triazolo[1,5-a]pyrazin-3-yl)methyl]thiophene-2-carboxamide
PubChem CID146070934
Molecular FormulaC15H19N5O2S
Molecular Weight333.42 g/mol
Exact Mass333.13
IUPAC Name3-methyl-N-[(6-oxo-7-propan-2-yl-5,7-dihydro-4H-triazolo[1,5-a]pyrazin-3-yl)methyl]thiophene-2-carboxamide
SMILESCc1ccsc1C(=O)NCc1nnn2c1CNC(=O)C2C(C)C
InChIInChI=1S/C15H19N5O2S/c1-8(2)12-14(21)17-7-11-10(18-19-20(11)12)6-16-15(22)13-9(3)4-5-23-13/h4-5,8,12H,6-7H2,1-3H3,(H,16,22)(H,17,21)
InChIKeyXTDQQFFJPJJFQO-UHFFFAOYSA-N
XLogP1.40
TPSA88.91 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500333.42
LogP ≤ 51.40
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Analyze 3-methyl-N-[(6-oxo-7-propan-2-yl-5,7-dihydro-4H-triazolo[1,5-a]pyrazin-3-yl)methyl]thiophene-2-carboxamide with MolForge

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Related Compounds

N-(aminomethyl)-3-methylthiophene-2-carboxamide
CID 169257485
N-[(4,5-dimethyl-1,3-oxazol-2-yl)methyl]-3-methylthiophene-2-carboxamide
CID 47344953
3-methyl-N-(oxiran-2-ylmethyl)thiophene-2-carboxamide
CID 102548440
3-methyl-N-[(1,3,5-trimethylpyrazol-4-yl)methyl]thiophene-2-carboxamide
CID 112530043
N-(cyclobutylmethyl)-3-methylthiophene-2-carboxamide
CID 94169217
N-[(4-hydroxypyrrolidin-3-yl)methyl]-3-methylthiophene-2-carboxamide;hydrochloride
CID 120944157
4-methyl-2-[[(3-methylthiophene-2-carbonyl)amino]methyl]-1,3-thiazole-5-carboxylic acid
CID 63628129
3-methyl-N-(2-methylprop-2-enyl)thiophene-2-carboxamide
CID 114618529
3-methyl-N-prop-2-ynylthiophene-2-carboxamide
CID 39911816
N-[(2-chlorophenyl)methyl]-3-methylthiophene-2-carboxamide
CID 2481080
3-methyl-N-[[2-[(4-methylpiperazin-1-yl)methyl]phenyl]methyl]thiophene-2-carboxamide
CID 51114590
3-methyl-N-pyridin-4-ylthiophene-2-carboxamide
CID 30388319

Frequently Asked Questions

What is the IUPAC name of 3-methyl-N-[(6-oxo-7-propan-2-yl-5,7-dihydro-4H-triazolo[1,5-a]pyrazin-3-yl)methyl]thiophene-2-carboxamide?
The IUPAC name of 3-methyl-N-[(6-oxo-7-propan-2-yl-5,7-dihydro-4H-triazolo[1,5-a]pyrazin-3-yl)methyl]thiophene-2-carboxamide (CID 146070934) is 3-methyl-N-[(6-oxo-7-propan-2-yl-5,7-dihydro-4H-triazolo[1,5-a]pyrazin-3-yl)methyl]thiophene-2-carboxamide.
What is the SMILES notation for 3-methyl-N-[(6-oxo-7-propan-2-yl-5,7-dihydro-4H-triazolo[1,5-a]pyrazin-3-yl)methyl]thiophene-2-carboxamide?
The canonical SMILES for 3-methyl-N-[(6-oxo-7-propan-2-yl-5,7-dihydro-4H-triazolo[1,5-a]pyrazin-3-yl)methyl]thiophene-2-carboxamide is Cc1ccsc1C(=O)NCc1nnn2c1CNC(=O)C2C(C)C.
What is the InChIKey of 3-methyl-N-[(6-oxo-7-propan-2-yl-5,7-dihydro-4H-triazolo[1,5-a]pyrazin-3-yl)methyl]thiophene-2-carboxamide?
The InChIKey is XTDQQFFJPJJFQO-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19N5O2S/c1-8(2)12-14(21)17-7-11-10(18-19-20(11)12)6-16-15(22)13-9(3)4-5-23-13/h4-5,8,12H,6-7H2,1-3H3,(H,16,22)(H,17,21).
What are the key properties of 3-methyl-N-[(6-oxo-7-propan-2-yl-5,7-dihydro-4H-triazolo[1,5-a]pyrazin-3-yl)methyl]thiophene-2-carboxamide?
3-methyl-N-[(6-oxo-7-propan-2-yl-5,7-dihydro-4H-triazolo[1,5-a]pyrazin-3-yl)methyl]thiophene-2-carboxamide has a molecular weight of 333.42 g/mol, XLogP of 1.40, 4 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methyl-N-[(6-oxo-7-propan-2-yl-5,7-dihydro-4H-triazolo[1,5-a]pyrazin-3-yl)methyl]thiophene-2-carboxamide is sourced from PubChem (CID 146070934), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).