5-[[cyclobutyl-(1-methylpyrazol-4-yl)methyl]carbamoylamino]-N-methyl-2H-triazole-4-carboxamide

C14H20N8O2 — CID 166320102

IUPAC5-[[cyclobutyl-(1-methylpyrazol-4-yl)methyl]carbamoylamino]-N-methyl-2H-triazole-4-carboxamide
SMILESCNC(=O)c1n[nH]nc1NC(=O)NC(c1cnn(C)c1)C1CCC1
InChIInChI=1S/C14H20N8O2/c1-15-13(23)11-12(20-21-19-11)18-14(24)17-10(8-4-3-5-8)9-6-16-22(2)7-9/h6-8,10H,3-5H2,1-2H3,(H,15,23)(H3,17,18,19,20,21,24)
InChIKeyYTGYWVOMKDGIEK-UHFFFAOYSA-N
MW332.37 g/mol
LogP0.56
Rot. Bonds5

About 5-[[cyclobutyl-(1-methylpyrazol-4-yl)methyl]carbamoylamino]-N-methyl-2H-triazole-4-carboxamide

5-[[cyclobutyl-(1-methylpyrazol-4-yl)methyl]carbamoylamino]-N-methyl-2H-triazole-4-carboxamide (PubChem CID 166320102) has the molecular formula C14H20N8O2 and a molecular weight of 332.37 g/mol. Its IUPAC name is 5-[[cyclobutyl-(1-methylpyrazol-4-yl)methyl]carbamoylamino]-N-methyl-2H-triazole-4-carboxamide.

Molecular Properties

Compound Name5-[[cyclobutyl-(1-methylpyrazol-4-yl)methyl]carbamoylamino]-N-methyl-2H-triazole-4-carboxamide
PubChem CID166320102
Molecular FormulaC14H20N8O2
Molecular Weight332.37 g/mol
Exact Mass332.17
IUPAC Name5-[[cyclobutyl-(1-methylpyrazol-4-yl)methyl]carbamoylamino]-N-methyl-2H-triazole-4-carboxamide
SMILESCNC(=O)c1n[nH]nc1NC(=O)NC(c1cnn(C)c1)C1CCC1
InChIInChI=1S/C14H20N8O2/c1-15-13(23)11-12(20-21-19-11)18-14(24)17-10(8-4-3-5-8)9-6-16-22(2)7-9/h6-8,10H,3-5H2,1-2H3,(H,15,23)(H3,17,18,19,20,21,24)
InChIKeyYTGYWVOMKDGIEK-UHFFFAOYSA-N
XLogP0.56
TPSA129.62 Ų
H-Bond Donors4
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500332.37
LogP ≤ 50.56
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 5-[[cyclobutyl-(1-methylpyrazol-4-yl)methyl]carbamoylamino]-N-methyl-2H-triazole-4-carboxamide?
The IUPAC name of 5-[[cyclobutyl-(1-methylpyrazol-4-yl)methyl]carbamoylamino]-N-methyl-2H-triazole-4-carboxamide (CID 166320102) is 5-[[cyclobutyl-(1-methylpyrazol-4-yl)methyl]carbamoylamino]-N-methyl-2H-triazole-4-carboxamide.
What is the SMILES notation for 5-[[cyclobutyl-(1-methylpyrazol-4-yl)methyl]carbamoylamino]-N-methyl-2H-triazole-4-carboxamide?
The canonical SMILES for 5-[[cyclobutyl-(1-methylpyrazol-4-yl)methyl]carbamoylamino]-N-methyl-2H-triazole-4-carboxamide is CNC(=O)c1n[nH]nc1NC(=O)NC(c1cnn(C)c1)C1CCC1.
What is the InChIKey of 5-[[cyclobutyl-(1-methylpyrazol-4-yl)methyl]carbamoylamino]-N-methyl-2H-triazole-4-carboxamide?
The InChIKey is YTGYWVOMKDGIEK-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20N8O2/c1-15-13(23)11-12(20-21-19-11)18-14(24)17-10(8-4-3-5-8)9-6-16-22(2)7-9/h6-8,10H,3-5H2,1-2H3,(H,15,23)(H3,17,18,19,20,21,24).
What are the key properties of 5-[[cyclobutyl-(1-methylpyrazol-4-yl)methyl]carbamoylamino]-N-methyl-2H-triazole-4-carboxamide?
5-[[cyclobutyl-(1-methylpyrazol-4-yl)methyl]carbamoylamino]-N-methyl-2H-triazole-4-carboxamide has a molecular weight of 332.37 g/mol, XLogP of 0.56, 5 rotatable bonds, 4 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[[cyclobutyl-(1-methylpyrazol-4-yl)methyl]carbamoylamino]-N-methyl-2H-triazole-4-carboxamide is sourced from PubChem (CID 166320102), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).