N-[[1-(5,6-dimethyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl)piperidin-4-yl]methyl]-N,1-dimethylpyrazole-4-carboxamide

C19H26N8O — CID 172881921

IUPACN-[[1-(5,6-dimethyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl)piperidin-4-yl]methyl]-N,1-dimethylpyrazole-4-carboxamide
SMILESCc1nc2ncnn2c(N2CCC(CN(C)C(=O)c3cnn(C)c3)CC2)c1C
InChIInChI=1S/C19H26N8O/c1-13-14(2)23-19-20-12-22-27(19)17(13)26-7-5-15(6-8-26)10-24(3)18(28)16-9-21-25(4)11-16/h9,11-12,15H,5-8,10H2,1-4H3
InChIKeyRPUUJFNENGTDAY-UHFFFAOYSA-N
MW382.47 g/mol
LogP1.46
Rot. Bonds4

About N-[[1-(5,6-dimethyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl)piperidin-4-yl]methyl]-N,1-dimethylpyrazole-4-carboxamide

N-[[1-(5,6-dimethyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl)piperidin-4-yl]methyl]-N,1-dimethylpyrazole-4-carboxamide (PubChem CID 172881921) has the molecular formula C19H26N8O and a molecular weight of 382.47 g/mol. Its IUPAC name is N-[[1-(5,6-dimethyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl)piperidin-4-yl]methyl]-N,1-dimethylpyrazole-4-carboxamide.

Molecular Properties

Compound NameN-[[1-(5,6-dimethyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl)piperidin-4-yl]methyl]-N,1-dimethylpyrazole-4-carboxamide
PubChem CID172881921
Molecular FormulaC19H26N8O
Molecular Weight382.47 g/mol
Exact Mass382.22
IUPAC NameN-[[1-(5,6-dimethyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl)piperidin-4-yl]methyl]-N,1-dimethylpyrazole-4-carboxamide
SMILESCc1nc2ncnn2c(N2CCC(CN(C)C(=O)c3cnn(C)c3)CC2)c1C
InChIInChI=1S/C19H26N8O/c1-13-14(2)23-19-20-12-22-27(19)17(13)26-7-5-15(6-8-26)10-24(3)18(28)16-9-21-25(4)11-16/h9,11-12,15H,5-8,10H2,1-4H3
InChIKeyRPUUJFNENGTDAY-UHFFFAOYSA-N
XLogP1.46
TPSA84.45 Ų
H-Bond Donors
H-Bond Acceptors8
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500382.47
LogP ≤ 51.46
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 108

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Frequently Asked Questions

What is the IUPAC name of N-[[1-(5,6-dimethyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl)piperidin-4-yl]methyl]-N,1-dimethylpyrazole-4-carboxamide?
The IUPAC name of N-[[1-(5,6-dimethyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl)piperidin-4-yl]methyl]-N,1-dimethylpyrazole-4-carboxamide (CID 172881921) is N-[[1-(5,6-dimethyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl)piperidin-4-yl]methyl]-N,1-dimethylpyrazole-4-carboxamide.
What is the SMILES notation for N-[[1-(5,6-dimethyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl)piperidin-4-yl]methyl]-N,1-dimethylpyrazole-4-carboxamide?
The canonical SMILES for N-[[1-(5,6-dimethyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl)piperidin-4-yl]methyl]-N,1-dimethylpyrazole-4-carboxamide is Cc1nc2ncnn2c(N2CCC(CN(C)C(=O)c3cnn(C)c3)CC2)c1C.
What is the InChIKey of N-[[1-(5,6-dimethyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl)piperidin-4-yl]methyl]-N,1-dimethylpyrazole-4-carboxamide?
The InChIKey is RPUUJFNENGTDAY-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H26N8O/c1-13-14(2)23-19-20-12-22-27(19)17(13)26-7-5-15(6-8-26)10-24(3)18(28)16-9-21-25(4)11-16/h9,11-12,15H,5-8,10H2,1-4H3.
What are the key properties of N-[[1-(5,6-dimethyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl)piperidin-4-yl]methyl]-N,1-dimethylpyrazole-4-carboxamide?
N-[[1-(5,6-dimethyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl)piperidin-4-yl]methyl]-N,1-dimethylpyrazole-4-carboxamide has a molecular weight of 382.47 g/mol, XLogP of 1.46, 4 rotatable bonds, 0 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[1-(5,6-dimethyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl)piperidin-4-yl]methyl]-N,1-dimethylpyrazole-4-carboxamide is sourced from PubChem (CID 172881921), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).