7-[3-(ethylaminomethyl)piperidin-1-yl]-5-methyl-2H-[1,2,4]triazolo[4,3-c]pyrimidin-3-one

C14H22N6O — CID 66275344

IUPAC7-[3-(ethylaminomethyl)piperidin-1-yl]-5-methyl-2H-[1,2,4]triazolo[4,3-c]pyrimidin-3-one
SMILESCCNCC1CCCN(c2cc3n[nH]c(=O)n3c(C)n2)C1
InChIInChI=1S/C14H22N6O/c1-3-15-8-11-5-4-6-19(9-11)12-7-13-17-18-14(21)20(13)10(2)16-12/h7,11,15H,3-6,8-9H2,1-2H3,(H,18,21)
InChIKeyNVAYWMZCBAWFCC-UHFFFAOYSA-N
MW290.37 g/mol
LogP0.55
Rot. Bonds4

About 7-[3-(ethylaminomethyl)piperidin-1-yl]-5-methyl-2H-[1,2,4]triazolo[4,3-c]pyrimidin-3-one

7-[3-(ethylaminomethyl)piperidin-1-yl]-5-methyl-2H-[1,2,4]triazolo[4,3-c]pyrimidin-3-one (PubChem CID 66275344) has the molecular formula C14H22N6O and a molecular weight of 290.37 g/mol. Its IUPAC name is 7-[3-(ethylaminomethyl)piperidin-1-yl]-5-methyl-2H-[1,2,4]triazolo[4,3-c]pyrimidin-3-one.

Molecular Properties

Compound Name7-[3-(ethylaminomethyl)piperidin-1-yl]-5-methyl-2H-[1,2,4]triazolo[4,3-c]pyrimidin-3-one
PubChem CID66275344
Molecular FormulaC14H22N6O
Molecular Weight290.37 g/mol
Exact Mass290.19
IUPAC Name7-[3-(ethylaminomethyl)piperidin-1-yl]-5-methyl-2H-[1,2,4]triazolo[4,3-c]pyrimidin-3-one
SMILESCCNCC1CCCN(c2cc3n[nH]c(=O)n3c(C)n2)C1
InChIInChI=1S/C14H22N6O/c1-3-15-8-11-5-4-6-19(9-11)12-7-13-17-18-14(21)20(13)10(2)16-12/h7,11,15H,3-6,8-9H2,1-2H3,(H,18,21)
InChIKeyNVAYWMZCBAWFCC-UHFFFAOYSA-N
XLogP0.55
TPSA78.32 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.37
LogP ≤ 50.55
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 7-[3-(ethylaminomethyl)piperidin-1-yl]-5-methyl-2H-[1,2,4]triazolo[4,3-c]pyrimidin-3-one?
The IUPAC name of 7-[3-(ethylaminomethyl)piperidin-1-yl]-5-methyl-2H-[1,2,4]triazolo[4,3-c]pyrimidin-3-one (CID 66275344) is 7-[3-(ethylaminomethyl)piperidin-1-yl]-5-methyl-2H-[1,2,4]triazolo[4,3-c]pyrimidin-3-one.
What is the SMILES notation for 7-[3-(ethylaminomethyl)piperidin-1-yl]-5-methyl-2H-[1,2,4]triazolo[4,3-c]pyrimidin-3-one?
The canonical SMILES for 7-[3-(ethylaminomethyl)piperidin-1-yl]-5-methyl-2H-[1,2,4]triazolo[4,3-c]pyrimidin-3-one is CCNCC1CCCN(c2cc3n[nH]c(=O)n3c(C)n2)C1.
What is the InChIKey of 7-[3-(ethylaminomethyl)piperidin-1-yl]-5-methyl-2H-[1,2,4]triazolo[4,3-c]pyrimidin-3-one?
The InChIKey is NVAYWMZCBAWFCC-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H22N6O/c1-3-15-8-11-5-4-6-19(9-11)12-7-13-17-18-14(21)20(13)10(2)16-12/h7,11,15H,3-6,8-9H2,1-2H3,(H,18,21).
What are the key properties of 7-[3-(ethylaminomethyl)piperidin-1-yl]-5-methyl-2H-[1,2,4]triazolo[4,3-c]pyrimidin-3-one?
7-[3-(ethylaminomethyl)piperidin-1-yl]-5-methyl-2H-[1,2,4]triazolo[4,3-c]pyrimidin-3-one has a molecular weight of 290.37 g/mol, XLogP of 0.55, 4 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 7-[3-(ethylaminomethyl)piperidin-1-yl]-5-methyl-2H-[1,2,4]triazolo[4,3-c]pyrimidin-3-one is sourced from PubChem (CID 66275344), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).