N-[[1-(2-chlorophenyl)triazol-4-yl]methyl]-1,2,3,4-tetrahydropyrrolo[1,2-a]pyrazine-6-carboxamide

C17H17ClN6O — CID 166360978

IUPACN-[[1-(2-chlorophenyl)triazol-4-yl]methyl]-1,2,3,4-tetrahydropyrrolo[1,2-a]pyrazine-6-carboxamide
SMILESO=C(NCc1cn(-c2ccccc2Cl)nn1)c1ccc2n1CCNC2
InChIInChI=1S/C17H17ClN6O/c18-14-3-1-2-4-15(14)24-11-12(21-22-24)9-20-17(25)16-6-5-13-10-19-7-8-23(13)16/h1-6,11,19H,7-10H2,(H,20,25)
InChIKeyGPANRJZXADMTCY-UHFFFAOYSA-N
MW356.82 g/mol
LogP1.76
Rot. Bonds4

About N-[[1-(2-chlorophenyl)triazol-4-yl]methyl]-1,2,3,4-tetrahydropyrrolo[1,2-a]pyrazine-6-carboxamide

N-[[1-(2-chlorophenyl)triazol-4-yl]methyl]-1,2,3,4-tetrahydropyrrolo[1,2-a]pyrazine-6-carboxamide (PubChem CID 166360978) has the molecular formula C17H17ClN6O and a molecular weight of 356.82 g/mol. Its IUPAC name is N-[[1-(2-chlorophenyl)triazol-4-yl]methyl]-1,2,3,4-tetrahydropyrrolo[1,2-a]pyrazine-6-carboxamide.

Molecular Properties

Compound NameN-[[1-(2-chlorophenyl)triazol-4-yl]methyl]-1,2,3,4-tetrahydropyrrolo[1,2-a]pyrazine-6-carboxamide
PubChem CID166360978
Molecular FormulaC17H17ClN6O
Molecular Weight356.82 g/mol
Exact Mass356.12
IUPAC NameN-[[1-(2-chlorophenyl)triazol-4-yl]methyl]-1,2,3,4-tetrahydropyrrolo[1,2-a]pyrazine-6-carboxamide
SMILESO=C(NCc1cn(-c2ccccc2Cl)nn1)c1ccc2n1CCNC2
InChIInChI=1S/C17H17ClN6O/c18-14-3-1-2-4-15(14)24-11-12(21-22-24)9-20-17(25)16-6-5-13-10-19-7-8-23(13)16/h1-6,11,19H,7-10H2,(H,20,25)
InChIKeyGPANRJZXADMTCY-UHFFFAOYSA-N
XLogP1.76
TPSA76.77 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500356.82
LogP ≤ 51.76
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of N-[[1-(2-chlorophenyl)triazol-4-yl]methyl]-1,2,3,4-tetrahydropyrrolo[1,2-a]pyrazine-6-carboxamide?
The IUPAC name of N-[[1-(2-chlorophenyl)triazol-4-yl]methyl]-1,2,3,4-tetrahydropyrrolo[1,2-a]pyrazine-6-carboxamide (CID 166360978) is N-[[1-(2-chlorophenyl)triazol-4-yl]methyl]-1,2,3,4-tetrahydropyrrolo[1,2-a]pyrazine-6-carboxamide.
What is the SMILES notation for N-[[1-(2-chlorophenyl)triazol-4-yl]methyl]-1,2,3,4-tetrahydropyrrolo[1,2-a]pyrazine-6-carboxamide?
The canonical SMILES for N-[[1-(2-chlorophenyl)triazol-4-yl]methyl]-1,2,3,4-tetrahydropyrrolo[1,2-a]pyrazine-6-carboxamide is O=C(NCc1cn(-c2ccccc2Cl)nn1)c1ccc2n1CCNC2.
What is the InChIKey of N-[[1-(2-chlorophenyl)triazol-4-yl]methyl]-1,2,3,4-tetrahydropyrrolo[1,2-a]pyrazine-6-carboxamide?
The InChIKey is GPANRJZXADMTCY-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H17ClN6O/c18-14-3-1-2-4-15(14)24-11-12(21-22-24)9-20-17(25)16-6-5-13-10-19-7-8-23(13)16/h1-6,11,19H,7-10H2,(H,20,25).
What are the key properties of N-[[1-(2-chlorophenyl)triazol-4-yl]methyl]-1,2,3,4-tetrahydropyrrolo[1,2-a]pyrazine-6-carboxamide?
N-[[1-(2-chlorophenyl)triazol-4-yl]methyl]-1,2,3,4-tetrahydropyrrolo[1,2-a]pyrazine-6-carboxamide has a molecular weight of 356.82 g/mol, XLogP of 1.76, 4 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[1-(2-chlorophenyl)triazol-4-yl]methyl]-1,2,3,4-tetrahydropyrrolo[1,2-a]pyrazine-6-carboxamide is sourced from PubChem (CID 166360978), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).