7-(2-pyrrolidin-2-ylethylamino)-2H-[1,2,4]triazolo[4,3-c]pyrimidin-3-one

C11H16N6O — CID 114794454

IUPAC7-(2-pyrrolidin-2-ylethylamino)-2H-[1,2,4]triazolo[4,3-c]pyrimidin-3-one
SMILESO=c1[nH]nc2cc(NCCC3CCCN3)ncn12
InChIInChI=1S/C11H16N6O/c18-11-16-15-10-6-9(14-7-17(10)11)13-5-3-8-2-1-4-12-8/h6-8,12-13H,1-5H2,(H,16,18)
InChIKeyUQFAJSOKYTZPLN-UHFFFAOYSA-N
MW248.29 g/mol
LogP-0.03
Rot. Bonds4

About 7-(2-pyrrolidin-2-ylethylamino)-2H-[1,2,4]triazolo[4,3-c]pyrimidin-3-one

7-(2-pyrrolidin-2-ylethylamino)-2H-[1,2,4]triazolo[4,3-c]pyrimidin-3-one (PubChem CID 114794454) has the molecular formula C11H16N6O and a molecular weight of 248.29 g/mol. Its IUPAC name is 7-(2-pyrrolidin-2-ylethylamino)-2H-[1,2,4]triazolo[4,3-c]pyrimidin-3-one.

Molecular Properties

Compound Name7-(2-pyrrolidin-2-ylethylamino)-2H-[1,2,4]triazolo[4,3-c]pyrimidin-3-one
PubChem CID114794454
Molecular FormulaC11H16N6O
Molecular Weight248.29 g/mol
Exact Mass248.14
IUPAC Name7-(2-pyrrolidin-2-ylethylamino)-2H-[1,2,4]triazolo[4,3-c]pyrimidin-3-one
SMILESO=c1[nH]nc2cc(NCCC3CCCN3)ncn12
InChIInChI=1S/C11H16N6O/c18-11-16-15-10-6-9(14-7-17(10)11)13-5-3-8-2-1-4-12-8/h6-8,12-13H,1-5H2,(H,16,18)
InChIKeyUQFAJSOKYTZPLN-UHFFFAOYSA-N
XLogP-0.03
TPSA87.11 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds4
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-methylpiperidin-3-yl)amino]-2H-[1,2,4]triazolo[4,3-c]pyrimidin-3-one
CID 114695537
7-(piperidin-3-ylamino)-2H-[1,2,4]triazolo[4,3-c]pyrimidin-3-one
CID 66281555
7-[ethyl(piperidin-2-ylmethyl)amino]-2H-[1,2,4]triazolo[4,3-c]pyrimidin-3-one
CID 106641853
N,N-dimethyl-2-[(3-oxo-2H-[1,2,4]triazolo[4,3-c]pyrimidin-7-yl)amino]ethanesulfonamide
CID 106339179
7-[cyclopropyl(piperidin-2-ylmethyl)amino]-2H-[1,2,4]triazolo[4,3-c]pyrimidin-3-one
CID 106641194
7-(2-methylpropylamino)-2H-[1,2,4]triazolo[4,3-c]pyrimidin-3-one
CID 66284455
7-(2-prop-2-ynylsulfanylethylamino)-2H-[1,2,4]triazolo[4,3-c]pyrimidin-3-one
CID 106430614
7-[[1-(chloromethyl)cyclopentyl]methylamino]-2H-[1,2,4]triazolo[4,3-c]pyrimidin-3-one
CID 115363669
6-ethyl-N-[2-[(2R)-pyrrolidin-2-yl]ethyl]pyrimidin-4-amine
CID 104973152
2-ethyl-4-[2-[(2S)-pyrrolidin-2-yl]ethylamino]-1H-pyrimidin-6-one
CID 136879297
7-[(1-chloro-4-methylpentan-2-yl)amino]-2H-[1,2,4]triazolo[4,3-c]pyrimidin-3-one
CID 66281581
6-chloro-N-[2-[(2R)-pyrrolidin-2-yl]ethyl]pyrazin-2-amine
CID 104973220

Frequently Asked Questions

What is the IUPAC name of 7-(2-pyrrolidin-2-ylethylamino)-2H-[1,2,4]triazolo[4,3-c]pyrimidin-3-one?
The IUPAC name of 7-(2-pyrrolidin-2-ylethylamino)-2H-[1,2,4]triazolo[4,3-c]pyrimidin-3-one (CID 114794454) is 7-(2-pyrrolidin-2-ylethylamino)-2H-[1,2,4]triazolo[4,3-c]pyrimidin-3-one.
What is the SMILES notation for 7-(2-pyrrolidin-2-ylethylamino)-2H-[1,2,4]triazolo[4,3-c]pyrimidin-3-one?
The canonical SMILES for 7-(2-pyrrolidin-2-ylethylamino)-2H-[1,2,4]triazolo[4,3-c]pyrimidin-3-one is O=c1[nH]nc2cc(NCCC3CCCN3)ncn12.
What is the InChIKey of 7-(2-pyrrolidin-2-ylethylamino)-2H-[1,2,4]triazolo[4,3-c]pyrimidin-3-one?
The InChIKey is UQFAJSOKYTZPLN-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H16N6O/c18-11-16-15-10-6-9(14-7-17(10)11)13-5-3-8-2-1-4-12-8/h6-8,12-13H,1-5H2,(H,16,18).
What are the key properties of 7-(2-pyrrolidin-2-ylethylamino)-2H-[1,2,4]triazolo[4,3-c]pyrimidin-3-one?
7-(2-pyrrolidin-2-ylethylamino)-2H-[1,2,4]triazolo[4,3-c]pyrimidin-3-one has a molecular weight of 248.29 g/mol, XLogP of -0.03, 4 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 7-(2-pyrrolidin-2-ylethylamino)-2H-[1,2,4]triazolo[4,3-c]pyrimidin-3-one is sourced from PubChem (CID 114794454), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).