N-(3-cyclopropyl-6,7,8,9-tetrahydro-5H-[1,2,4]triazolo[4,3-a]azepin-7-yl)-2-morpholin-4-ylacetamide

C16H25N5O2 — CID 91922588

IUPACN-(3-cyclopropyl-6,7,8,9-tetrahydro-5H-[1,2,4]triazolo[4,3-a]azepin-7-yl)-2-morpholin-4-ylacetamide
SMILESO=C(CN1CCOCC1)NC1CCc2nnc(C3CC3)n2CC1
InChIInChI=1S/C16H25N5O2/c22-15(11-20-7-9-23-10-8-20)17-13-3-4-14-18-19-16(12-1-2-12)21(14)6-5-13/h12-13H,1-11H2,(H,17,22)
InChIKeyRZYNPBKMPXACOW-UHFFFAOYSA-N
MW319.41 g/mol
LogP0.31
Rot. Bonds4

About N-(3-cyclopropyl-6,7,8,9-tetrahydro-5H-[1,2,4]triazolo[4,3-a]azepin-7-yl)-2-morpholin-4-ylacetamide

N-(3-cyclopropyl-6,7,8,9-tetrahydro-5H-[1,2,4]triazolo[4,3-a]azepin-7-yl)-2-morpholin-4-ylacetamide (PubChem CID 91922588) has the molecular formula C16H25N5O2 and a molecular weight of 319.41 g/mol. Its IUPAC name is N-(3-cyclopropyl-6,7,8,9-tetrahydro-5H-[1,2,4]triazolo[4,3-a]azepin-7-yl)-2-morpholin-4-ylacetamide.

Molecular Properties

Compound NameN-(3-cyclopropyl-6,7,8,9-tetrahydro-5H-[1,2,4]triazolo[4,3-a]azepin-7-yl)-2-morpholin-4-ylacetamide
PubChem CID91922588
Molecular FormulaC16H25N5O2
Molecular Weight319.41 g/mol
Exact Mass319.20
IUPAC NameN-(3-cyclopropyl-6,7,8,9-tetrahydro-5H-[1,2,4]triazolo[4,3-a]azepin-7-yl)-2-morpholin-4-ylacetamide
SMILESO=C(CN1CCOCC1)NC1CCc2nnc(C3CC3)n2CC1
InChIInChI=1S/C16H25N5O2/c22-15(11-20-7-9-23-10-8-20)17-13-3-4-14-18-19-16(12-1-2-12)21(14)6-5-13/h12-13H,1-11H2,(H,17,22)
InChIKeyRZYNPBKMPXACOW-UHFFFAOYSA-N
XLogP0.31
TPSA72.28 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500319.41
LogP ≤ 50.31
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

1-[3-[1-(Cyclopropylmethyl)piperidin-2-yl]-5,6,8,9-tetrahydro-[1,2,4]triazolo[4,3-d][1,4]diazepin-7-yl]ethanone
CID 110263069
N-{3-Cyclopropyl-5H,6H,7H,8H,9H-[1,2,4]triazolo[4,3-A]azepin-7-YL}-2-methoxyacetamide
CID 91910733
ethyl 4-(3-{[(2-methylbutanoyl)amino]methyl}-5,6,8,9-tetrahydro-7H-[1,2,4]triazolo[4,3-d][1,4]diazepin-7-yl)-1-piperidinecarboxylate
CID 45181679
2-methoxy-N-[3-methyl-1-(7-propyl-5,6,8,9-tetrahydro-[1,2,4]triazolo[4,3-d][1,4]diazepin-3-yl)butyl]acetamide
CID 45184939
N-{1-[7-(cyclohexylmethyl)-6,7,8,9-tetrahydro-5H-[1,2,4]triazolo[4,3-d][1,4]diazepin-3-yl]-2-methylpropyl}-2-methoxyacetamide
CID 45228317
ethyl 4-{3-[1-(acetylamino)-3-methylbutyl]-5,6,8,9-tetrahydro-7H-[1,2,4]triazolo[4,3-d][1,4]diazepin-7-yl}-1-piperidinecarboxylate
CID 45239763
N-(1-ethylpiperidin-4-yl)-2-[3-(6,7,8,9-tetrahydro-5H-[1,2,4]triazolo[4,3-a]azepin-3-yl)piperidin-1-yl]acetamide
CID 53530239
N-isopropyl-2-{4-[4-methyl-5-(morpholin-4-ylmethyl)-4H-1,2,4-triazol-3-yl]piperidin-1-yl}acetamide
CID 70774115
N-(cyclopropylmethyl)-2-[2-(6,7,8,9-tetrahydro-5H-[1,2,4]triazolo[4,3-a]azepin-3-yl)pyrrolidin-1-yl]acetamide
CID 72129888
2-(dimethylamino)-N-[3-methyl-1-[7-(oxan-4-yl)-5,6,8,9-tetrahydro-[1,2,4]triazolo[4,3-d][1,4]diazepin-3-yl]butyl]acetamide
CID 126466066
2-Methoxy-1-[2-[7-(1-methylcyclopropanecarbonyl)-5,6,8,9-tetrahydro-[1,2,4]triazolo[4,3-d][1,4]diazepin-3-yl]piperidin-1-yl]ethanone
CID 132332813
N-Cyclohexyl-3-[1-(2-methoxyacetyl)piperidin-2-YL]-5H,6H,7H,8H,9H-[1,2,4]triazolo[4,3-D][1,4]diazepine-7-carboxamide
CID 132332817

Frequently Asked Questions

What is the IUPAC name of N-(3-cyclopropyl-6,7,8,9-tetrahydro-5H-[1,2,4]triazolo[4,3-a]azepin-7-yl)-2-morpholin-4-ylacetamide?
The IUPAC name of N-(3-cyclopropyl-6,7,8,9-tetrahydro-5H-[1,2,4]triazolo[4,3-a]azepin-7-yl)-2-morpholin-4-ylacetamide (CID 91922588) is N-(3-cyclopropyl-6,7,8,9-tetrahydro-5H-[1,2,4]triazolo[4,3-a]azepin-7-yl)-2-morpholin-4-ylacetamide.
What is the SMILES notation for N-(3-cyclopropyl-6,7,8,9-tetrahydro-5H-[1,2,4]triazolo[4,3-a]azepin-7-yl)-2-morpholin-4-ylacetamide?
The canonical SMILES for N-(3-cyclopropyl-6,7,8,9-tetrahydro-5H-[1,2,4]triazolo[4,3-a]azepin-7-yl)-2-morpholin-4-ylacetamide is O=C(CN1CCOCC1)NC1CCc2nnc(C3CC3)n2CC1.
What is the InChIKey of N-(3-cyclopropyl-6,7,8,9-tetrahydro-5H-[1,2,4]triazolo[4,3-a]azepin-7-yl)-2-morpholin-4-ylacetamide?
The InChIKey is RZYNPBKMPXACOW-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H25N5O2/c22-15(11-20-7-9-23-10-8-20)17-13-3-4-14-18-19-16(12-1-2-12)21(14)6-5-13/h12-13H,1-11H2,(H,17,22).
What are the key properties of N-(3-cyclopropyl-6,7,8,9-tetrahydro-5H-[1,2,4]triazolo[4,3-a]azepin-7-yl)-2-morpholin-4-ylacetamide?
N-(3-cyclopropyl-6,7,8,9-tetrahydro-5H-[1,2,4]triazolo[4,3-a]azepin-7-yl)-2-morpholin-4-ylacetamide has a molecular weight of 319.41 g/mol, XLogP of 0.31, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-cyclopropyl-6,7,8,9-tetrahydro-5H-[1,2,4]triazolo[4,3-a]azepin-7-yl)-2-morpholin-4-ylacetamide is sourced from PubChem (CID 91922588), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).