1-(2-aminoethyl)-N-[(5-cyclohexyl-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-2-yl)methyl]triazole-4-carboxamide

C18H28N8O — CID 70719528

IUPAC1-(2-aminoethyl)-N-[(5-cyclohexyl-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-2-yl)methyl]triazole-4-carboxamide
SMILESNCCn1cc(C(=O)NCc2cc3n(n2)CCN(C2CCCCC2)C3)nn1
InChIInChI=1S/C18H28N8O/c19-6-7-25-13-17(21-23-25)18(27)20-11-14-10-16-12-24(8-9-26(16)22-14)15-4-2-1-3-5-15/h10,13,15H,1-9,11-12,19H2,(H,20,27)
InChIKeyYCLLQAXTENEXGF-UHFFFAOYSA-N
MW372.48 g/mol
LogP0.51
Rot. Bonds6

About 1-(2-aminoethyl)-N-[(5-cyclohexyl-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-2-yl)methyl]triazole-4-carboxamide

1-(2-aminoethyl)-N-[(5-cyclohexyl-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-2-yl)methyl]triazole-4-carboxamide (PubChem CID 70719528) has the molecular formula C18H28N8O and a molecular weight of 372.48 g/mol. Its IUPAC name is 1-(2-aminoethyl)-N-[(5-cyclohexyl-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-2-yl)methyl]triazole-4-carboxamide.

Molecular Properties

Compound Name1-(2-aminoethyl)-N-[(5-cyclohexyl-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-2-yl)methyl]triazole-4-carboxamide
PubChem CID70719528
Molecular FormulaC18H28N8O
Molecular Weight372.48 g/mol
Exact Mass372.24
IUPAC Name1-(2-aminoethyl)-N-[(5-cyclohexyl-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-2-yl)methyl]triazole-4-carboxamide
SMILESNCCn1cc(C(=O)NCc2cc3n(n2)CCN(C2CCCCC2)C3)nn1
InChIInChI=1S/C18H28N8O/c19-6-7-25-13-17(21-23-25)18(27)20-11-14-10-16-12-24(8-9-26(16)22-14)15-4-2-1-3-5-15/h10,13,15H,1-9,11-12,19H2,(H,20,27)
InChIKeyYCLLQAXTENEXGF-UHFFFAOYSA-N
XLogP0.51
TPSA106.89 Ų
H-Bond Donors2
H-Bond Acceptors8
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500372.48
LogP ≤ 50.51
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 108

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Frequently Asked Questions

What is the IUPAC name of 1-(2-aminoethyl)-N-[(5-cyclohexyl-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-2-yl)methyl]triazole-4-carboxamide?
The IUPAC name of 1-(2-aminoethyl)-N-[(5-cyclohexyl-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-2-yl)methyl]triazole-4-carboxamide (CID 70719528) is 1-(2-aminoethyl)-N-[(5-cyclohexyl-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-2-yl)methyl]triazole-4-carboxamide.
What is the SMILES notation for 1-(2-aminoethyl)-N-[(5-cyclohexyl-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-2-yl)methyl]triazole-4-carboxamide?
The canonical SMILES for 1-(2-aminoethyl)-N-[(5-cyclohexyl-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-2-yl)methyl]triazole-4-carboxamide is NCCn1cc(C(=O)NCc2cc3n(n2)CCN(C2CCCCC2)C3)nn1.
What is the InChIKey of 1-(2-aminoethyl)-N-[(5-cyclohexyl-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-2-yl)methyl]triazole-4-carboxamide?
The InChIKey is YCLLQAXTENEXGF-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H28N8O/c19-6-7-25-13-17(21-23-25)18(27)20-11-14-10-16-12-24(8-9-26(16)22-14)15-4-2-1-3-5-15/h10,13,15H,1-9,11-12,19H2,(H,20,27).
What are the key properties of 1-(2-aminoethyl)-N-[(5-cyclohexyl-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-2-yl)methyl]triazole-4-carboxamide?
1-(2-aminoethyl)-N-[(5-cyclohexyl-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-2-yl)methyl]triazole-4-carboxamide has a molecular weight of 372.48 g/mol, XLogP of 0.51, 6 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-aminoethyl)-N-[(5-cyclohexyl-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-2-yl)methyl]triazole-4-carboxamide is sourced from PubChem (CID 70719528), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).