2-[5-(morpholin-4-ylmethyl)tetrazol-1-yl]-N-[3-(3,4,5-trimethylpyrazol-1-yl)propyl]acetamide

C17H28N8O2 — CID 72862643

IUPAC2-[5-(morpholin-4-ylmethyl)tetrazol-1-yl]-N-[3-(3,4,5-trimethylpyrazol-1-yl)propyl]acetamide
SMILESCc1nn(CCCNC(=O)Cn2nnnc2CN2CCOCC2)c(C)c1C
InChIInChI=1S/C17H28N8O2/c1-13-14(2)20-24(15(13)3)6-4-5-18-17(26)12-25-16(19-21-22-25)11-23-7-9-27-10-8-23/h4-12H2,1-3H3,(H,18,26)
InChIKeyOESYFECPCGEPQA-UHFFFAOYSA-N
MW376.47 g/mol
LogP-0.17
Rot. Bonds8

About 2-[5-(morpholin-4-ylmethyl)tetrazol-1-yl]-N-[3-(3,4,5-trimethylpyrazol-1-yl)propyl]acetamide

2-[5-(morpholin-4-ylmethyl)tetrazol-1-yl]-N-[3-(3,4,5-trimethylpyrazol-1-yl)propyl]acetamide (PubChem CID 72862643) has the molecular formula C17H28N8O2 and a molecular weight of 376.47 g/mol. Its IUPAC name is 2-[5-(morpholin-4-ylmethyl)tetrazol-1-yl]-N-[3-(3,4,5-trimethylpyrazol-1-yl)propyl]acetamide.

Molecular Properties

Compound Name2-[5-(morpholin-4-ylmethyl)tetrazol-1-yl]-N-[3-(3,4,5-trimethylpyrazol-1-yl)propyl]acetamide
PubChem CID72862643
Molecular FormulaC17H28N8O2
Molecular Weight376.47 g/mol
Exact Mass376.23
IUPAC Name2-[5-(morpholin-4-ylmethyl)tetrazol-1-yl]-N-[3-(3,4,5-trimethylpyrazol-1-yl)propyl]acetamide
SMILESCc1nn(CCCNC(=O)Cn2nnnc2CN2CCOCC2)c(C)c1C
InChIInChI=1S/C17H28N8O2/c1-13-14(2)20-24(15(13)3)6-4-5-18-17(26)12-25-16(19-21-22-25)11-23-7-9-27-10-8-23/h4-12H2,1-3H3,(H,18,26)
InChIKeyOESYFECPCGEPQA-UHFFFAOYSA-N
XLogP-0.17
TPSA102.99 Ų
H-Bond Donors1
H-Bond Acceptors9
Rotatable Bonds8
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500376.47
LogP ≤ 5-0.17
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 109

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

2-(5-{[(2R*,6S*)-2,6-dimethyl-4-morpholinyl]methyl}-1H-tetrazol-1-yl)-N-[3-(3,5-dimethyl-1H-pyrazol-1-yl)propyl]acetamide
CID 24792014
N-ethyl-2-[(1-methyl-5-morpholin-4-yl-3-propan-2-ylpyrazol-4-yl)methylamino]acetamide
CID 53539387
N,N-dimethyl-2-[(1-methyl-5-morpholin-4-yl-3-propan-2-ylpyrazol-4-yl)methylamino]acetamide
CID 53539931
N,N-dimethyl-2-[(1-methyl-5-morpholin-4-yl-3-propan-2-ylpyrazol-4-yl)methylamino]propanamide
CID 53540774
1-[(3S)-3-(1-cyclopentyltetrazol-5-yl)-3-[(1,3,5-trimethylpyrazol-4-yl)methylamino]piperidin-1-yl]propan-1-one
CID 164633645
2-(3,5-dimethylpyrazol-1-yl)-1-[(3S)-3-[1-(2-methoxyethyl)tetrazol-5-yl]-3-morpholin-4-ylpiperidin-1-yl]ethanone
CID 164635007
N-cyclopropyl-2-{5-[(4-methyl-1-piperidinyl)methyl]-1H-tetrazol-1-yl}-N-[(1,3,5-trimethyl-1H-pyrazol-4-yl)methyl]acetamide
CID 25381684
(2S,4R)-4-amino-1-[(1,3-dimethyl-5-morpholin-4-yl-1H-pyrazol-4-yl)methyl]-N-isopropylpyrrolidine-2-carboxamide
CID 56710443
1-[3-[[4-Methoxy-6-(1,3,5-trimethylpyrazol-4-yl)-1,3,5-triazin-2-yl]amino]propyl]pyrrolidin-2-one
CID 117091913
N-[1-(3,5-dimethyl-1H-pyrazol-4-yl)ethyl]-N-methyl-2-[5-[(4-methylpiperidin-1-yl)methyl]tetrazol-1-yl]acetamide
CID 45249425
N-cyclopentyl-2-[(1,3-dimethyl-5-morpholin-4-ylpyrazol-4-yl)methylamino]propanamide
CID 53543523
(2S,4S)-4-amino-1-[(1,3-dimethyl-5-morpholin-4-yl-1H-pyrazol-4-yl)methyl]-N-isopropylpyrrolidine-2-carboxamide
CID 56706607

Frequently Asked Questions

What is the IUPAC name of 2-[5-(morpholin-4-ylmethyl)tetrazol-1-yl]-N-[3-(3,4,5-trimethylpyrazol-1-yl)propyl]acetamide?
The IUPAC name of 2-[5-(morpholin-4-ylmethyl)tetrazol-1-yl]-N-[3-(3,4,5-trimethylpyrazol-1-yl)propyl]acetamide (CID 72862643) is 2-[5-(morpholin-4-ylmethyl)tetrazol-1-yl]-N-[3-(3,4,5-trimethylpyrazol-1-yl)propyl]acetamide.
What is the SMILES notation for 2-[5-(morpholin-4-ylmethyl)tetrazol-1-yl]-N-[3-(3,4,5-trimethylpyrazol-1-yl)propyl]acetamide?
The canonical SMILES for 2-[5-(morpholin-4-ylmethyl)tetrazol-1-yl]-N-[3-(3,4,5-trimethylpyrazol-1-yl)propyl]acetamide is Cc1nn(CCCNC(=O)Cn2nnnc2CN2CCOCC2)c(C)c1C.
What is the InChIKey of 2-[5-(morpholin-4-ylmethyl)tetrazol-1-yl]-N-[3-(3,4,5-trimethylpyrazol-1-yl)propyl]acetamide?
The InChIKey is OESYFECPCGEPQA-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H28N8O2/c1-13-14(2)20-24(15(13)3)6-4-5-18-17(26)12-25-16(19-21-22-25)11-23-7-9-27-10-8-23/h4-12H2,1-3H3,(H,18,26).
What are the key properties of 2-[5-(morpholin-4-ylmethyl)tetrazol-1-yl]-N-[3-(3,4,5-trimethylpyrazol-1-yl)propyl]acetamide?
2-[5-(morpholin-4-ylmethyl)tetrazol-1-yl]-N-[3-(3,4,5-trimethylpyrazol-1-yl)propyl]acetamide has a molecular weight of 376.47 g/mol, XLogP of -0.17, 8 rotatable bonds, 1 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[5-(morpholin-4-ylmethyl)tetrazol-1-yl]-N-[3-(3,4,5-trimethylpyrazol-1-yl)propyl]acetamide is sourced from PubChem (CID 72862643), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).