3-cyclopentyl-8-methyl-N-[[5-(phenoxymethyl)-1H-1,2,4-triazol-3-yl]methyl]-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazine-7-carboxamide

C22H28N8O2 — CID 139000767

IUPAC3-cyclopentyl-8-methyl-N-[[5-(phenoxymethyl)-1H-1,2,4-triazol-3-yl]methyl]-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazine-7-carboxamide
SMILESCC1c2nnc(C3CCCC3)n2CCN1C(=O)NCc1n[nH]c(COc2ccccc2)n1
InChIInChI=1S/C22H28N8O2/c1-15-20-27-28-21(16-7-5-6-8-16)30(20)12-11-29(15)22(31)23-13-18-24-19(26-25-18)14-32-17-9-3-2-4-10-17/h2-4,9-10,15-16H,5-8,11-14H2,1H3,(H,23,31)(H,24,25,26)
InChIKeyTYWVWAFSGNGXGY-UHFFFAOYSA-N
MW436.52 g/mol
LogP2.92
Rot. Bonds6

About 3-cyclopentyl-8-methyl-N-[[5-(phenoxymethyl)-1H-1,2,4-triazol-3-yl]methyl]-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazine-7-carboxamide

3-cyclopentyl-8-methyl-N-[[5-(phenoxymethyl)-1H-1,2,4-triazol-3-yl]methyl]-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazine-7-carboxamide (PubChem CID 139000767) has the molecular formula C22H28N8O2 and a molecular weight of 436.52 g/mol. Its IUPAC name is 3-cyclopentyl-8-methyl-N-[[5-(phenoxymethyl)-1H-1,2,4-triazol-3-yl]methyl]-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazine-7-carboxamide.

Molecular Properties

Compound Name3-cyclopentyl-8-methyl-N-[[5-(phenoxymethyl)-1H-1,2,4-triazol-3-yl]methyl]-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazine-7-carboxamide
PubChem CID139000767
Molecular FormulaC22H28N8O2
Molecular Weight436.52 g/mol
Exact Mass436.23
IUPAC Name3-cyclopentyl-8-methyl-N-[[5-(phenoxymethyl)-1H-1,2,4-triazol-3-yl]methyl]-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazine-7-carboxamide
SMILESCC1c2nnc(C3CCCC3)n2CCN1C(=O)NCc1n[nH]c(COc2ccccc2)n1
InChIInChI=1S/C22H28N8O2/c1-15-20-27-28-21(16-7-5-6-8-16)30(20)12-11-29(15)22(31)23-13-18-24-19(26-25-18)14-32-17-9-3-2-4-10-17/h2-4,9-10,15-16H,5-8,11-14H2,1H3,(H,23,31)(H,24,25,26)
InChIKeyTYWVWAFSGNGXGY-UHFFFAOYSA-N
XLogP2.92
TPSA113.85 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500436.52
LogP ≤ 52.92
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 3-cyclopentyl-8-methyl-N-[[5-(phenoxymethyl)-1H-1,2,4-triazol-3-yl]methyl]-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazine-7-carboxamide?
The IUPAC name of 3-cyclopentyl-8-methyl-N-[[5-(phenoxymethyl)-1H-1,2,4-triazol-3-yl]methyl]-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazine-7-carboxamide (CID 139000767) is 3-cyclopentyl-8-methyl-N-[[5-(phenoxymethyl)-1H-1,2,4-triazol-3-yl]methyl]-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazine-7-carboxamide.
What is the SMILES notation for 3-cyclopentyl-8-methyl-N-[[5-(phenoxymethyl)-1H-1,2,4-triazol-3-yl]methyl]-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazine-7-carboxamide?
The canonical SMILES for 3-cyclopentyl-8-methyl-N-[[5-(phenoxymethyl)-1H-1,2,4-triazol-3-yl]methyl]-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazine-7-carboxamide is CC1c2nnc(C3CCCC3)n2CCN1C(=O)NCc1n[nH]c(COc2ccccc2)n1.
What is the InChIKey of 3-cyclopentyl-8-methyl-N-[[5-(phenoxymethyl)-1H-1,2,4-triazol-3-yl]methyl]-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazine-7-carboxamide?
The InChIKey is TYWVWAFSGNGXGY-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H28N8O2/c1-15-20-27-28-21(16-7-5-6-8-16)30(20)12-11-29(15)22(31)23-13-18-24-19(26-25-18)14-32-17-9-3-2-4-10-17/h2-4,9-10,15-16H,5-8,11-14H2,1H3,(H,23,31)(H,24,25,26).
What are the key properties of 3-cyclopentyl-8-methyl-N-[[5-(phenoxymethyl)-1H-1,2,4-triazol-3-yl]methyl]-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazine-7-carboxamide?
3-cyclopentyl-8-methyl-N-[[5-(phenoxymethyl)-1H-1,2,4-triazol-3-yl]methyl]-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazine-7-carboxamide has a molecular weight of 436.52 g/mol, XLogP of 2.92, 6 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 3-cyclopentyl-8-methyl-N-[[5-(phenoxymethyl)-1H-1,2,4-triazol-3-yl]methyl]-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazine-7-carboxamide is sourced from PubChem (CID 139000767), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).