7-[(2-methylpiperidin-3-yl)amino]-2H-[1,2,4]triazolo[4,3-c]pyrimidin-3-one

C11H16N6O — CID 114695537

IUPAC7-[(2-methylpiperidin-3-yl)amino]-2H-[1,2,4]triazolo[4,3-c]pyrimidin-3-one
SMILESCC1NCCCC1Nc1cc2n[nH]c(=O)n2cn1
InChIInChI=1S/C11H16N6O/c1-7-8(3-2-4-12-7)14-9-5-10-15-16-11(18)17(10)6-13-9/h5-8,12,14H,2-4H2,1H3,(H,16,18)
InChIKeyKZAYKWMYYDNWCM-UHFFFAOYSA-N
MW248.29 g/mol
LogP-0.03
Rot. Bonds2

About 7-[(2-methylpiperidin-3-yl)amino]-2H-[1,2,4]triazolo[4,3-c]pyrimidin-3-one

7-[(2-methylpiperidin-3-yl)amino]-2H-[1,2,4]triazolo[4,3-c]pyrimidin-3-one (PubChem CID 114695537) has the molecular formula C11H16N6O and a molecular weight of 248.29 g/mol. Its IUPAC name is 7-[(2-methylpiperidin-3-yl)amino]-2H-[1,2,4]triazolo[4,3-c]pyrimidin-3-one.

Molecular Properties

Compound Name7-[(2-methylpiperidin-3-yl)amino]-2H-[1,2,4]triazolo[4,3-c]pyrimidin-3-one
PubChem CID114695537
Molecular FormulaC11H16N6O
Molecular Weight248.29 g/mol
Exact Mass248.14
IUPAC Name7-[(2-methylpiperidin-3-yl)amino]-2H-[1,2,4]triazolo[4,3-c]pyrimidin-3-one
SMILESCC1NCCCC1Nc1cc2n[nH]c(=O)n2cn1
InChIInChI=1S/C11H16N6O/c1-7-8(3-2-4-12-7)14-9-5-10-15-16-11(18)17(10)6-13-9/h5-8,12,14H,2-4H2,1H3,(H,16,18)
InChIKeyKZAYKWMYYDNWCM-UHFFFAOYSA-N
XLogP-0.03
TPSA87.11 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500248.29
LogP ≤ 5-0.03
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

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Related Compounds

7-[(2-aminocyclohexyl)amino]-2H-[1,2,4]triazolo[4,3-c]pyrimidin-3-one
CID 66281552
7-[(2-aminocyclopentyl)amino]-2H-[1,2,4]triazolo[4,3-c]pyrimidin-3-one
CID 66284093
7-(piperidin-3-ylamino)-2H-[1,2,4]triazolo[4,3-c]pyrimidin-3-one
CID 66281555
7-(2-pyrrolidin-2-ylethylamino)-2H-[1,2,4]triazolo[4,3-c]pyrimidin-3-one
CID 114794454
7-[(1-methyl-2-oxopyrrolidin-3-yl)amino]-2H-[1,2,4]triazolo[4,3-c]pyrimidin-3-one
CID 106258476
7-[(4-methylpiperidin-4-yl)amino]-2H-[1,2,4]triazolo[4,3-c]pyrimidin-3-one
CID 114697211
7-(2-methylpropylamino)-2H-[1,2,4]triazolo[4,3-c]pyrimidin-3-one
CID 66284455
7-[ethyl(piperidin-2-ylmethyl)amino]-2H-[1,2,4]triazolo[4,3-c]pyrimidin-3-one
CID 106641853
7-[3-(hydroxymethyl)pentan-3-ylamino]-2H-[1,2,4]triazolo[4,3-c]pyrimidin-3-one
CID 66281539
7-(2-fluoroethylamino)-2H-[1,2,4]triazolo[4,3-c]pyrimidin-3-one
CID 130504227
7-(morpholin-4-ylamino)-2H-[1,2,4]triazolo[4,3-c]pyrimidin-3-one
CID 83025781
7-(1-chloropropan-2-ylamino)-2H-[1,2,4]triazolo[4,3-c]pyrimidin-3-one
CID 66281382

Frequently Asked Questions

What is the IUPAC name of 7-[(2-methylpiperidin-3-yl)amino]-2H-[1,2,4]triazolo[4,3-c]pyrimidin-3-one?
The IUPAC name of 7-[(2-methylpiperidin-3-yl)amino]-2H-[1,2,4]triazolo[4,3-c]pyrimidin-3-one (CID 114695537) is 7-[(2-methylpiperidin-3-yl)amino]-2H-[1,2,4]triazolo[4,3-c]pyrimidin-3-one.
What is the SMILES notation for 7-[(2-methylpiperidin-3-yl)amino]-2H-[1,2,4]triazolo[4,3-c]pyrimidin-3-one?
The canonical SMILES for 7-[(2-methylpiperidin-3-yl)amino]-2H-[1,2,4]triazolo[4,3-c]pyrimidin-3-one is CC1NCCCC1Nc1cc2n[nH]c(=O)n2cn1.
What is the InChIKey of 7-[(2-methylpiperidin-3-yl)amino]-2H-[1,2,4]triazolo[4,3-c]pyrimidin-3-one?
The InChIKey is KZAYKWMYYDNWCM-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H16N6O/c1-7-8(3-2-4-12-7)14-9-5-10-15-16-11(18)17(10)6-13-9/h5-8,12,14H,2-4H2,1H3,(H,16,18).
What are the key properties of 7-[(2-methylpiperidin-3-yl)amino]-2H-[1,2,4]triazolo[4,3-c]pyrimidin-3-one?
7-[(2-methylpiperidin-3-yl)amino]-2H-[1,2,4]triazolo[4,3-c]pyrimidin-3-one has a molecular weight of 248.29 g/mol, XLogP of -0.03, 2 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 7-[(2-methylpiperidin-3-yl)amino]-2H-[1,2,4]triazolo[4,3-c]pyrimidin-3-one is sourced from PubChem (CID 114695537), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).