N-[1-(4-propan-2-yl-1,2,4-triazol-3-yl)ethyl]-5,6,7,8-tetrahydroimidazo[1,2-a]pyrazine-2-carboxamide

C14H21N7O — CID 56889674

IUPACN-[1-(4-propan-2-yl-1,2,4-triazol-3-yl)ethyl]-5,6,7,8-tetrahydroimidazo[1,2-a]pyrazine-2-carboxamide
SMILESCC(NC(=O)c1cn2c(n1)CNCC2)c1nncn1C(C)C
InChIInChI=1S/C14H21N7O/c1-9(2)21-8-16-19-13(21)10(3)17-14(22)11-7-20-5-4-15-6-12(20)18-11/h7-10,15H,4-6H2,1-3H3,(H,17,22)
InChIKeyWPHKYEVBPYQZRH-UHFFFAOYSA-N
MW303.37 g/mol
LogP0.65
Rot. Bonds4

About N-[1-(4-propan-2-yl-1,2,4-triazol-3-yl)ethyl]-5,6,7,8-tetrahydroimidazo[1,2-a]pyrazine-2-carboxamide

N-[1-(4-propan-2-yl-1,2,4-triazol-3-yl)ethyl]-5,6,7,8-tetrahydroimidazo[1,2-a]pyrazine-2-carboxamide (PubChem CID 56889674) has the molecular formula C14H21N7O and a molecular weight of 303.37 g/mol. Its IUPAC name is N-[1-(4-propan-2-yl-1,2,4-triazol-3-yl)ethyl]-5,6,7,8-tetrahydroimidazo[1,2-a]pyrazine-2-carboxamide.

Molecular Properties

Compound NameN-[1-(4-propan-2-yl-1,2,4-triazol-3-yl)ethyl]-5,6,7,8-tetrahydroimidazo[1,2-a]pyrazine-2-carboxamide
PubChem CID56889674
Molecular FormulaC14H21N7O
Molecular Weight303.37 g/mol
Exact Mass303.18
IUPAC NameN-[1-(4-propan-2-yl-1,2,4-triazol-3-yl)ethyl]-5,6,7,8-tetrahydroimidazo[1,2-a]pyrazine-2-carboxamide
SMILESCC(NC(=O)c1cn2c(n1)CNCC2)c1nncn1C(C)C
InChIInChI=1S/C14H21N7O/c1-9(2)21-8-16-19-13(21)10(3)17-14(22)11-7-20-5-4-15-6-12(20)18-11/h7-10,15H,4-6H2,1-3H3,(H,17,22)
InChIKeyWPHKYEVBPYQZRH-UHFFFAOYSA-N
XLogP0.65
TPSA89.66 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500303.37
LogP ≤ 50.65
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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Related Compounds

5,6,7,8-tetrahydroimidazo[1,2-a]pyrazine-2-carboxamide
CID 90327259
9-methoxy-7-oxo-N-[1-(4-propan-2-yl-1,2,4-triazol-3-yl)ethyl]-2,3,4,5-tetrahydro-1H-pyrido[1,2-d][1,4]diazepine-10-carboxamide
CID 118767465
3-amino-4-phenyl-N-[1-(4-propan-2-yl-1,2,4-triazol-3-yl)ethyl]-1H-pyrazole-5-carboxamide
CID 131921930
4-methyl-2-oxo-1-piperidin-4-yl-N-[1-(4-propan-2-yl-1,2,4-triazol-3-yl)ethyl]pyridine-3-carboxamide
CID 172668009
2-methylpropane;5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyrazine
CID 145392855
N-[1-(4-propan-2-yl-1,2,4-triazol-3-yl)ethyl]-[1,2,4]triazolo[4,3-a]pyridine-8-carboxamide
CID 118767768
N-[1-(4-propan-2-yl-1,2,4-triazol-3-yl)ethyl]-4-pyrimidin-5-ylbenzamide
CID 119066722
ethyl 5,6,7,8-tetrahydroimidazo[1,2-a]pyrazine-2-carboxylate;hydrate;dihydrochloride
CID 18525864
2-[(2R)-butan-2-yl]-5,6,7,8-tetrahydroimidazo[1,2-a]pyrazine
CID 94985164
N-[(1R)-1-(4-propan-2-yl-1,2,4-triazol-3-yl)ethyl]-4-pyridin-4-ylpiperazine-1-carboxamide
CID 126429294
6-cyano-N-[(1R)-1-(4-propan-2-yl-1,2,4-triazol-3-yl)ethyl]pyridine-3-carboxamide
CID 125164685
2-(2-oxo-1-pyridinyl)-N-[(1S)-1-(4-propan-2-yl-1,2,4-triazol-3-yl)ethyl]acetamide
CID 126450812

Frequently Asked Questions

What is the IUPAC name of N-[1-(4-propan-2-yl-1,2,4-triazol-3-yl)ethyl]-5,6,7,8-tetrahydroimidazo[1,2-a]pyrazine-2-carboxamide?
The IUPAC name of N-[1-(4-propan-2-yl-1,2,4-triazol-3-yl)ethyl]-5,6,7,8-tetrahydroimidazo[1,2-a]pyrazine-2-carboxamide (CID 56889674) is N-[1-(4-propan-2-yl-1,2,4-triazol-3-yl)ethyl]-5,6,7,8-tetrahydroimidazo[1,2-a]pyrazine-2-carboxamide.
What is the SMILES notation for N-[1-(4-propan-2-yl-1,2,4-triazol-3-yl)ethyl]-5,6,7,8-tetrahydroimidazo[1,2-a]pyrazine-2-carboxamide?
The canonical SMILES for N-[1-(4-propan-2-yl-1,2,4-triazol-3-yl)ethyl]-5,6,7,8-tetrahydroimidazo[1,2-a]pyrazine-2-carboxamide is CC(NC(=O)c1cn2c(n1)CNCC2)c1nncn1C(C)C.
What is the InChIKey of N-[1-(4-propan-2-yl-1,2,4-triazol-3-yl)ethyl]-5,6,7,8-tetrahydroimidazo[1,2-a]pyrazine-2-carboxamide?
The InChIKey is WPHKYEVBPYQZRH-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H21N7O/c1-9(2)21-8-16-19-13(21)10(3)17-14(22)11-7-20-5-4-15-6-12(20)18-11/h7-10,15H,4-6H2,1-3H3,(H,17,22).
What are the key properties of N-[1-(4-propan-2-yl-1,2,4-triazol-3-yl)ethyl]-5,6,7,8-tetrahydroimidazo[1,2-a]pyrazine-2-carboxamide?
N-[1-(4-propan-2-yl-1,2,4-triazol-3-yl)ethyl]-5,6,7,8-tetrahydroimidazo[1,2-a]pyrazine-2-carboxamide has a molecular weight of 303.37 g/mol, XLogP of 0.65, 4 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(4-propan-2-yl-1,2,4-triazol-3-yl)ethyl]-5,6,7,8-tetrahydroimidazo[1,2-a]pyrazine-2-carboxamide is sourced from PubChem (CID 56889674), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).