N-[2-(4,6-dimethyl-2-oxopyrimidin-1-yl)ethyl]-1-(2-piperazin-1-ylethyl)triazole-4-carboxamide

C17H26N8O2 — CID 70740152

IUPACN-[2-(4,6-dimethyl-2-oxopyrimidin-1-yl)ethyl]-1-(2-piperazin-1-ylethyl)triazole-4-carboxamide
SMILESCc1cc(C)n(CCNC(=O)c2cn(CCN3CCNCC3)nn2)c(=O)n1
InChIInChI=1S/C17H26N8O2/c1-13-11-14(2)25(17(27)20-13)8-5-19-16(26)15-12-24(22-21-15)10-9-23-6-3-18-4-7-23/h11-12,18H,3-10H2,1-2H3,(H,19,26)
InChIKeyQTIPBLFEWSGLHZ-UHFFFAOYSA-N
MW374.45 g/mol
LogP-1.21
Rot. Bonds7

About N-[2-(4,6-dimethyl-2-oxopyrimidin-1-yl)ethyl]-1-(2-piperazin-1-ylethyl)triazole-4-carboxamide

N-[2-(4,6-dimethyl-2-oxopyrimidin-1-yl)ethyl]-1-(2-piperazin-1-ylethyl)triazole-4-carboxamide (PubChem CID 70740152) has the molecular formula C17H26N8O2 and a molecular weight of 374.45 g/mol. Its IUPAC name is N-[2-(4,6-dimethyl-2-oxopyrimidin-1-yl)ethyl]-1-(2-piperazin-1-ylethyl)triazole-4-carboxamide.

Molecular Properties

Compound NameN-[2-(4,6-dimethyl-2-oxopyrimidin-1-yl)ethyl]-1-(2-piperazin-1-ylethyl)triazole-4-carboxamide
PubChem CID70740152
Molecular FormulaC17H26N8O2
Molecular Weight374.45 g/mol
Exact Mass374.22
IUPAC NameN-[2-(4,6-dimethyl-2-oxopyrimidin-1-yl)ethyl]-1-(2-piperazin-1-ylethyl)triazole-4-carboxamide
SMILESCc1cc(C)n(CCNC(=O)c2cn(CCN3CCNCC3)nn2)c(=O)n1
InChIInChI=1S/C17H26N8O2/c1-13-11-14(2)25(17(27)20-13)8-5-19-16(26)15-12-24(22-21-15)10-9-23-6-3-18-4-7-23/h11-12,18H,3-10H2,1-2H3,(H,19,26)
InChIKeyQTIPBLFEWSGLHZ-UHFFFAOYSA-N
XLogP-1.21
TPSA109.97 Ų
H-Bond Donors2
H-Bond Acceptors9
Rotatable Bonds7
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500374.45
LogP ≤ 5-1.21
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 109

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Frequently Asked Questions

What is the IUPAC name of N-[2-(4,6-dimethyl-2-oxopyrimidin-1-yl)ethyl]-1-(2-piperazin-1-ylethyl)triazole-4-carboxamide?
The IUPAC name of N-[2-(4,6-dimethyl-2-oxopyrimidin-1-yl)ethyl]-1-(2-piperazin-1-ylethyl)triazole-4-carboxamide (CID 70740152) is N-[2-(4,6-dimethyl-2-oxopyrimidin-1-yl)ethyl]-1-(2-piperazin-1-ylethyl)triazole-4-carboxamide.
What is the SMILES notation for N-[2-(4,6-dimethyl-2-oxopyrimidin-1-yl)ethyl]-1-(2-piperazin-1-ylethyl)triazole-4-carboxamide?
The canonical SMILES for N-[2-(4,6-dimethyl-2-oxopyrimidin-1-yl)ethyl]-1-(2-piperazin-1-ylethyl)triazole-4-carboxamide is Cc1cc(C)n(CCNC(=O)c2cn(CCN3CCNCC3)nn2)c(=O)n1.
What is the InChIKey of N-[2-(4,6-dimethyl-2-oxopyrimidin-1-yl)ethyl]-1-(2-piperazin-1-ylethyl)triazole-4-carboxamide?
The InChIKey is QTIPBLFEWSGLHZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H26N8O2/c1-13-11-14(2)25(17(27)20-13)8-5-19-16(26)15-12-24(22-21-15)10-9-23-6-3-18-4-7-23/h11-12,18H,3-10H2,1-2H3,(H,19,26).
What are the key properties of N-[2-(4,6-dimethyl-2-oxopyrimidin-1-yl)ethyl]-1-(2-piperazin-1-ylethyl)triazole-4-carboxamide?
N-[2-(4,6-dimethyl-2-oxopyrimidin-1-yl)ethyl]-1-(2-piperazin-1-ylethyl)triazole-4-carboxamide has a molecular weight of 374.45 g/mol, XLogP of -1.21, 7 rotatable bonds, 2 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(4,6-dimethyl-2-oxopyrimidin-1-yl)ethyl]-1-(2-piperazin-1-ylethyl)triazole-4-carboxamide is sourced from PubChem (CID 70740152), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).