7-[ethyl(piperidin-2-ylmethyl)amino]-2H-[1,2,4]triazolo[4,3-c]pyrimidin-3-one

C13H20N6O — CID 106641853

IUPAC7-[ethyl(piperidin-2-ylmethyl)amino]-2H-[1,2,4]triazolo[4,3-c]pyrimidin-3-one
SMILESCCN(CC1CCCCN1)c1cc2n[nH]c(=O)n2cn1
InChIInChI=1S/C13H20N6O/c1-2-18(8-10-5-3-4-6-14-10)11-7-12-16-17-13(20)19(12)9-15-11/h7,9-10,14H,2-6,8H2,1H3,(H,17,20)
InChIKeyWGUCSHXBSSWGFO-UHFFFAOYSA-N
MW276.34 g/mol
LogP0.39
Rot. Bonds4

About 7-[ethyl(piperidin-2-ylmethyl)amino]-2H-[1,2,4]triazolo[4,3-c]pyrimidin-3-one

7-[ethyl(piperidin-2-ylmethyl)amino]-2H-[1,2,4]triazolo[4,3-c]pyrimidin-3-one (PubChem CID 106641853) has the molecular formula C13H20N6O and a molecular weight of 276.34 g/mol. Its IUPAC name is 7-[ethyl(piperidin-2-ylmethyl)amino]-2H-[1,2,4]triazolo[4,3-c]pyrimidin-3-one.

Molecular Properties

Compound Name7-[ethyl(piperidin-2-ylmethyl)amino]-2H-[1,2,4]triazolo[4,3-c]pyrimidin-3-one
PubChem CID106641853
Molecular FormulaC13H20N6O
Molecular Weight276.34 g/mol
Exact Mass276.17
IUPAC Name7-[ethyl(piperidin-2-ylmethyl)amino]-2H-[1,2,4]triazolo[4,3-c]pyrimidin-3-one
SMILESCCN(CC1CCCCN1)c1cc2n[nH]c(=O)n2cn1
InChIInChI=1S/C13H20N6O/c1-2-18(8-10-5-3-4-6-14-10)11-7-12-16-17-13(20)19(12)9-15-11/h7,9-10,14H,2-6,8H2,1H3,(H,17,20)
InChIKeyWGUCSHXBSSWGFO-UHFFFAOYSA-N
XLogP0.39
TPSA78.32 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.34
LogP ≤ 50.39
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

7-[cyclopropyl(piperidin-2-ylmethyl)amino]-2H-[1,2,4]triazolo[4,3-c]pyrimidin-3-one
CID 106641194
6-[methyl(piperidin-2-ylmethyl)amino]-2H-[1,2,4]triazolo[4,3-b]pyridazin-3-one
CID 106641943
7-(2-pyrrolidin-2-ylethylamino)-2H-[1,2,4]triazolo[4,3-c]pyrimidin-3-one
CID 114794454
7-[2-bromoethyl(cyclopropyl)amino]-2H-[1,2,4]triazolo[4,3-c]pyrimidin-3-one
CID 80668194
4-[piperidin-2-ylmethyl(propyl)amino]-1H-pyrimidin-6-one
CID 136805325
7-[2-aminoethyl(butyl)amino]-2H-[1,2,4]triazolo[4,3-c]pyrimidin-3-one
CID 66284505
7-[(4-aminocyclohexyl)-propylamino]-2H-[1,2,4]triazolo[4,3-c]pyrimidin-3-one
CID 79117674
7-[8-azabicyclo[3.2.1]octan-3-yl(methyl)amino]-2H-[1,2,4]triazolo[4,3-c]pyrimidin-3-one
CID 66281750
7-[(2-methylpiperidin-3-yl)amino]-2H-[1,2,4]triazolo[4,3-c]pyrimidin-3-one
CID 114695537
5-bromo-N-ethyl-6-methyl-N-(piperidin-2-ylmethyl)pyridin-2-amine
CID 114046810
N-ethyl-N-(piperidin-2-ylmethyl)-4,5-dihydro-1H-imidazol-2-amine
CID 106632658
N-(azocan-2-ylmethyl)-N-ethylaniline
CID 114240324

Frequently Asked Questions

What is the IUPAC name of 7-[ethyl(piperidin-2-ylmethyl)amino]-2H-[1,2,4]triazolo[4,3-c]pyrimidin-3-one?
The IUPAC name of 7-[ethyl(piperidin-2-ylmethyl)amino]-2H-[1,2,4]triazolo[4,3-c]pyrimidin-3-one (CID 106641853) is 7-[ethyl(piperidin-2-ylmethyl)amino]-2H-[1,2,4]triazolo[4,3-c]pyrimidin-3-one.
What is the SMILES notation for 7-[ethyl(piperidin-2-ylmethyl)amino]-2H-[1,2,4]triazolo[4,3-c]pyrimidin-3-one?
The canonical SMILES for 7-[ethyl(piperidin-2-ylmethyl)amino]-2H-[1,2,4]triazolo[4,3-c]pyrimidin-3-one is CCN(CC1CCCCN1)c1cc2n[nH]c(=O)n2cn1.
What is the InChIKey of 7-[ethyl(piperidin-2-ylmethyl)amino]-2H-[1,2,4]triazolo[4,3-c]pyrimidin-3-one?
The InChIKey is WGUCSHXBSSWGFO-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H20N6O/c1-2-18(8-10-5-3-4-6-14-10)11-7-12-16-17-13(20)19(12)9-15-11/h7,9-10,14H,2-6,8H2,1H3,(H,17,20).
What are the key properties of 7-[ethyl(piperidin-2-ylmethyl)amino]-2H-[1,2,4]triazolo[4,3-c]pyrimidin-3-one?
7-[ethyl(piperidin-2-ylmethyl)amino]-2H-[1,2,4]triazolo[4,3-c]pyrimidin-3-one has a molecular weight of 276.34 g/mol, XLogP of 0.39, 4 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 7-[ethyl(piperidin-2-ylmethyl)amino]-2H-[1,2,4]triazolo[4,3-c]pyrimidin-3-one is sourced from PubChem (CID 106641853), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).