4-hydroxy-N-[1-(6,7,8,9-tetrahydro-5H-[1,2,4]triazolo[4,3-a]azepin-3-yl)ethyl]pyrrolidine-2-carboxamide

C14H23N5O2 — CID 43711721

IUPAC4-hydroxy-N-[1-(6,7,8,9-tetrahydro-5H-[1,2,4]triazolo[4,3-a]azepin-3-yl)ethyl]pyrrolidine-2-carboxamide
SMILESCC(NC(=O)C1CC(O)CN1)c1nnc2n1CCCCC2
InChIInChI=1S/C14H23N5O2/c1-9(16-14(21)11-7-10(20)8-15-11)13-18-17-12-5-3-2-4-6-19(12)13/h9-11,15,20H,2-8H2,1H3,(H,16,21)
InChIKeyVQYAGTLDVBTYJM-UHFFFAOYSA-N
MW293.37 g/mol
LogP-0.10
Rot. Bonds3

About 4-hydroxy-N-[1-(6,7,8,9-tetrahydro-5H-[1,2,4]triazolo[4,3-a]azepin-3-yl)ethyl]pyrrolidine-2-carboxamide

4-hydroxy-N-[1-(6,7,8,9-tetrahydro-5H-[1,2,4]triazolo[4,3-a]azepin-3-yl)ethyl]pyrrolidine-2-carboxamide (PubChem CID 43711721) has the molecular formula C14H23N5O2 and a molecular weight of 293.37 g/mol. Its IUPAC name is 4-hydroxy-N-[1-(6,7,8,9-tetrahydro-5H-[1,2,4]triazolo[4,3-a]azepin-3-yl)ethyl]pyrrolidine-2-carboxamide.

Molecular Properties

Compound Name4-hydroxy-N-[1-(6,7,8,9-tetrahydro-5H-[1,2,4]triazolo[4,3-a]azepin-3-yl)ethyl]pyrrolidine-2-carboxamide
PubChem CID43711721
Molecular FormulaC14H23N5O2
Molecular Weight293.37 g/mol
Exact Mass293.19
IUPAC Name4-hydroxy-N-[1-(6,7,8,9-tetrahydro-5H-[1,2,4]triazolo[4,3-a]azepin-3-yl)ethyl]pyrrolidine-2-carboxamide
SMILESCC(NC(=O)C1CC(O)CN1)c1nnc2n1CCCCC2
InChIInChI=1S/C14H23N5O2/c1-9(16-14(21)11-7-10(20)8-15-11)13-18-17-12-5-3-2-4-6-19(12)13/h9-11,15,20H,2-8H2,1H3,(H,16,21)
InChIKeyVQYAGTLDVBTYJM-UHFFFAOYSA-N
XLogP-0.10
TPSA92.07 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500293.37
LogP ≤ 5-0.10
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 4-hydroxy-N-[1-(6,7,8,9-tetrahydro-5H-[1,2,4]triazolo[4,3-a]azepin-3-yl)ethyl]pyrrolidine-2-carboxamide?
The IUPAC name of 4-hydroxy-N-[1-(6,7,8,9-tetrahydro-5H-[1,2,4]triazolo[4,3-a]azepin-3-yl)ethyl]pyrrolidine-2-carboxamide (CID 43711721) is 4-hydroxy-N-[1-(6,7,8,9-tetrahydro-5H-[1,2,4]triazolo[4,3-a]azepin-3-yl)ethyl]pyrrolidine-2-carboxamide.
What is the SMILES notation for 4-hydroxy-N-[1-(6,7,8,9-tetrahydro-5H-[1,2,4]triazolo[4,3-a]azepin-3-yl)ethyl]pyrrolidine-2-carboxamide?
The canonical SMILES for 4-hydroxy-N-[1-(6,7,8,9-tetrahydro-5H-[1,2,4]triazolo[4,3-a]azepin-3-yl)ethyl]pyrrolidine-2-carboxamide is CC(NC(=O)C1CC(O)CN1)c1nnc2n1CCCCC2.
What is the InChIKey of 4-hydroxy-N-[1-(6,7,8,9-tetrahydro-5H-[1,2,4]triazolo[4,3-a]azepin-3-yl)ethyl]pyrrolidine-2-carboxamide?
The InChIKey is VQYAGTLDVBTYJM-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H23N5O2/c1-9(16-14(21)11-7-10(20)8-15-11)13-18-17-12-5-3-2-4-6-19(12)13/h9-11,15,20H,2-8H2,1H3,(H,16,21).
What are the key properties of 4-hydroxy-N-[1-(6,7,8,9-tetrahydro-5H-[1,2,4]triazolo[4,3-a]azepin-3-yl)ethyl]pyrrolidine-2-carboxamide?
4-hydroxy-N-[1-(6,7,8,9-tetrahydro-5H-[1,2,4]triazolo[4,3-a]azepin-3-yl)ethyl]pyrrolidine-2-carboxamide has a molecular weight of 293.37 g/mol, XLogP of -0.10, 3 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-hydroxy-N-[1-(6,7,8,9-tetrahydro-5H-[1,2,4]triazolo[4,3-a]azepin-3-yl)ethyl]pyrrolidine-2-carboxamide is sourced from PubChem (CID 43711721), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).