N-[3-[5-[(dimethylamino)methyl]-4-methyl-1,2,4-triazol-3-yl]cyclobutyl]-2-(3,5-dimethyl-1H-pyrazol-4-yl)acetamide

C17H27N7O — CID 91769011

IUPACN-[3-[5-[(dimethylamino)methyl]-4-methyl-1,2,4-triazol-3-yl]cyclobutyl]-2-(3,5-dimethyl-1H-pyrazol-4-yl)acetamide
SMILESCc1n[nH]c(C)c1CC(=O)NC1CC(c2nnc(CN(C)C)n2C)C1
InChIInChI=1S/C17H27N7O/c1-10-14(11(2)20-19-10)8-16(25)18-13-6-12(7-13)17-22-21-15(24(17)5)9-23(3)4/h12-13H,6-9H2,1-5H3,(H,18,25)(H,19,20)
InChIKeyAMLKEAZIGKPDJM-UHFFFAOYSA-N
MW345.45 g/mol
LogP0.82
Rot. Bonds6

About N-[3-[5-[(dimethylamino)methyl]-4-methyl-1,2,4-triazol-3-yl]cyclobutyl]-2-(3,5-dimethyl-1H-pyrazol-4-yl)acetamide

N-[3-[5-[(dimethylamino)methyl]-4-methyl-1,2,4-triazol-3-yl]cyclobutyl]-2-(3,5-dimethyl-1H-pyrazol-4-yl)acetamide (PubChem CID 91769011) has the molecular formula C17H27N7O and a molecular weight of 345.45 g/mol. Its IUPAC name is N-[3-[5-[(dimethylamino)methyl]-4-methyl-1,2,4-triazol-3-yl]cyclobutyl]-2-(3,5-dimethyl-1H-pyrazol-4-yl)acetamide.

Molecular Properties

Compound NameN-[3-[5-[(dimethylamino)methyl]-4-methyl-1,2,4-triazol-3-yl]cyclobutyl]-2-(3,5-dimethyl-1H-pyrazol-4-yl)acetamide
PubChem CID91769011
Molecular FormulaC17H27N7O
Molecular Weight345.45 g/mol
Exact Mass345.23
IUPAC NameN-[3-[5-[(dimethylamino)methyl]-4-methyl-1,2,4-triazol-3-yl]cyclobutyl]-2-(3,5-dimethyl-1H-pyrazol-4-yl)acetamide
SMILESCc1n[nH]c(C)c1CC(=O)NC1CC(c2nnc(CN(C)C)n2C)C1
InChIInChI=1S/C17H27N7O/c1-10-14(11(2)20-19-10)8-16(25)18-13-6-12(7-13)17-22-21-15(24(17)5)9-23(3)4/h12-13H,6-9H2,1-5H3,(H,18,25)(H,19,20)
InChIKeyAMLKEAZIGKPDJM-UHFFFAOYSA-N
XLogP0.82
TPSA91.73 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500345.45
LogP ≤ 50.82
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of N-[3-[5-[(dimethylamino)methyl]-4-methyl-1,2,4-triazol-3-yl]cyclobutyl]-2-(3,5-dimethyl-1H-pyrazol-4-yl)acetamide?
The IUPAC name of N-[3-[5-[(dimethylamino)methyl]-4-methyl-1,2,4-triazol-3-yl]cyclobutyl]-2-(3,5-dimethyl-1H-pyrazol-4-yl)acetamide (CID 91769011) is N-[3-[5-[(dimethylamino)methyl]-4-methyl-1,2,4-triazol-3-yl]cyclobutyl]-2-(3,5-dimethyl-1H-pyrazol-4-yl)acetamide.
What is the SMILES notation for N-[3-[5-[(dimethylamino)methyl]-4-methyl-1,2,4-triazol-3-yl]cyclobutyl]-2-(3,5-dimethyl-1H-pyrazol-4-yl)acetamide?
The canonical SMILES for N-[3-[5-[(dimethylamino)methyl]-4-methyl-1,2,4-triazol-3-yl]cyclobutyl]-2-(3,5-dimethyl-1H-pyrazol-4-yl)acetamide is Cc1n[nH]c(C)c1CC(=O)NC1CC(c2nnc(CN(C)C)n2C)C1.
What is the InChIKey of N-[3-[5-[(dimethylamino)methyl]-4-methyl-1,2,4-triazol-3-yl]cyclobutyl]-2-(3,5-dimethyl-1H-pyrazol-4-yl)acetamide?
The InChIKey is AMLKEAZIGKPDJM-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H27N7O/c1-10-14(11(2)20-19-10)8-16(25)18-13-6-12(7-13)17-22-21-15(24(17)5)9-23(3)4/h12-13H,6-9H2,1-5H3,(H,18,25)(H,19,20).
What are the key properties of N-[3-[5-[(dimethylamino)methyl]-4-methyl-1,2,4-triazol-3-yl]cyclobutyl]-2-(3,5-dimethyl-1H-pyrazol-4-yl)acetamide?
N-[3-[5-[(dimethylamino)methyl]-4-methyl-1,2,4-triazol-3-yl]cyclobutyl]-2-(3,5-dimethyl-1H-pyrazol-4-yl)acetamide has a molecular weight of 345.45 g/mol, XLogP of 0.82, 6 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-[5-[(dimethylamino)methyl]-4-methyl-1,2,4-triazol-3-yl]cyclobutyl]-2-(3,5-dimethyl-1H-pyrazol-4-yl)acetamide is sourced from PubChem (CID 91769011), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).