N-[2-[cyclopropyl(propan-2-yl)amino]ethyl]-2-(3-oxo-6,7,8,9-tetrahydro-5H-[1,2,4]triazolo[4,3-a]azepin-2-yl)acetamide

C17H29N5O2 — CID 71879468

IUPACN-[2-[cyclopropyl(propan-2-yl)amino]ethyl]-2-(3-oxo-6,7,8,9-tetrahydro-5H-[1,2,4]triazolo[4,3-a]azepin-2-yl)acetamide
SMILESCC(C)N(CCNC(=O)Cn1nc2n(c1=O)CCCCC2)C1CC1
InChIInChI=1S/C17H29N5O2/c1-13(2)20(14-7-8-14)11-9-18-16(23)12-22-17(24)21-10-5-3-4-6-15(21)19-22/h13-14H,3-12H2,1-2H3,(H,18,23)
InChIKeyBUZSSPYKEFUFLL-UHFFFAOYSA-N
MW335.45 g/mol
LogP0.76
Rot. Bonds7

About N-[2-[cyclopropyl(propan-2-yl)amino]ethyl]-2-(3-oxo-6,7,8,9-tetrahydro-5H-[1,2,4]triazolo[4,3-a]azepin-2-yl)acetamide

N-[2-[cyclopropyl(propan-2-yl)amino]ethyl]-2-(3-oxo-6,7,8,9-tetrahydro-5H-[1,2,4]triazolo[4,3-a]azepin-2-yl)acetamide (PubChem CID 71879468) has the molecular formula C17H29N5O2 and a molecular weight of 335.45 g/mol. Its IUPAC name is N-[2-[cyclopropyl(propan-2-yl)amino]ethyl]-2-(3-oxo-6,7,8,9-tetrahydro-5H-[1,2,4]triazolo[4,3-a]azepin-2-yl)acetamide.

Molecular Properties

Compound NameN-[2-[cyclopropyl(propan-2-yl)amino]ethyl]-2-(3-oxo-6,7,8,9-tetrahydro-5H-[1,2,4]triazolo[4,3-a]azepin-2-yl)acetamide
PubChem CID71879468
Molecular FormulaC17H29N5O2
Molecular Weight335.45 g/mol
Exact Mass335.23
IUPAC NameN-[2-[cyclopropyl(propan-2-yl)amino]ethyl]-2-(3-oxo-6,7,8,9-tetrahydro-5H-[1,2,4]triazolo[4,3-a]azepin-2-yl)acetamide
SMILESCC(C)N(CCNC(=O)Cn1nc2n(c1=O)CCCCC2)C1CC1
InChIInChI=1S/C17H29N5O2/c1-13(2)20(14-7-8-14)11-9-18-16(23)12-22-17(24)21-10-5-3-4-6-15(21)19-22/h13-14H,3-12H2,1-2H3,(H,18,23)
InChIKeyBUZSSPYKEFUFLL-UHFFFAOYSA-N
XLogP0.76
TPSA72.16 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500335.45
LogP ≤ 50.76
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze N-[2-[cyclopropyl(propan-2-yl)amino]ethyl]-2-(3-oxo-6,7,8,9-tetrahydro-5H-[1,2,4]triazolo[4,3-a]azepin-2-yl)acetamide with MolForge

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Frequently Asked Questions

What is the IUPAC name of N-[2-[cyclopropyl(propan-2-yl)amino]ethyl]-2-(3-oxo-6,7,8,9-tetrahydro-5H-[1,2,4]triazolo[4,3-a]azepin-2-yl)acetamide?
The IUPAC name of N-[2-[cyclopropyl(propan-2-yl)amino]ethyl]-2-(3-oxo-6,7,8,9-tetrahydro-5H-[1,2,4]triazolo[4,3-a]azepin-2-yl)acetamide (CID 71879468) is N-[2-[cyclopropyl(propan-2-yl)amino]ethyl]-2-(3-oxo-6,7,8,9-tetrahydro-5H-[1,2,4]triazolo[4,3-a]azepin-2-yl)acetamide.
What is the SMILES notation for N-[2-[cyclopropyl(propan-2-yl)amino]ethyl]-2-(3-oxo-6,7,8,9-tetrahydro-5H-[1,2,4]triazolo[4,3-a]azepin-2-yl)acetamide?
The canonical SMILES for N-[2-[cyclopropyl(propan-2-yl)amino]ethyl]-2-(3-oxo-6,7,8,9-tetrahydro-5H-[1,2,4]triazolo[4,3-a]azepin-2-yl)acetamide is CC(C)N(CCNC(=O)Cn1nc2n(c1=O)CCCCC2)C1CC1.
What is the InChIKey of N-[2-[cyclopropyl(propan-2-yl)amino]ethyl]-2-(3-oxo-6,7,8,9-tetrahydro-5H-[1,2,4]triazolo[4,3-a]azepin-2-yl)acetamide?
The InChIKey is BUZSSPYKEFUFLL-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H29N5O2/c1-13(2)20(14-7-8-14)11-9-18-16(23)12-22-17(24)21-10-5-3-4-6-15(21)19-22/h13-14H,3-12H2,1-2H3,(H,18,23).
What are the key properties of N-[2-[cyclopropyl(propan-2-yl)amino]ethyl]-2-(3-oxo-6,7,8,9-tetrahydro-5H-[1,2,4]triazolo[4,3-a]azepin-2-yl)acetamide?
N-[2-[cyclopropyl(propan-2-yl)amino]ethyl]-2-(3-oxo-6,7,8,9-tetrahydro-5H-[1,2,4]triazolo[4,3-a]azepin-2-yl)acetamide has a molecular weight of 335.45 g/mol, XLogP of 0.76, 7 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[cyclopropyl(propan-2-yl)amino]ethyl]-2-(3-oxo-6,7,8,9-tetrahydro-5H-[1,2,4]triazolo[4,3-a]azepin-2-yl)acetamide is sourced from PubChem (CID 71879468), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).