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

C15H17N5O — CID 66282971

IUPAC5-methyl-7-(1-phenylpropylamino)-2H-[1,2,4]triazolo[4,3-c]pyrimidin-3-one
SMILESCCC(Nc1cc2n[nH]c(=O)n2c(C)n1)c1ccccc1
InChIInChI=1S/C15H17N5O/c1-3-12(11-7-5-4-6-8-11)17-13-9-14-18-19-15(21)20(14)10(2)16-13/h4-9,12,17H,3H2,1-2H3,(H,19,21)
InChIKeyMFVZZNKJIMVDEW-UHFFFAOYSA-N
MW283.34 g/mol
LogP2.29
Rot. Bonds4

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

5-methyl-7-(1-phenylpropylamino)-2H-[1,2,4]triazolo[4,3-c]pyrimidin-3-one (PubChem CID 66282971) has the molecular formula C15H17N5O and a molecular weight of 283.34 g/mol. Its IUPAC name is 5-methyl-7-(1-phenylpropylamino)-2H-[1,2,4]triazolo[4,3-c]pyrimidin-3-one.

Molecular Properties

Compound Name5-methyl-7-(1-phenylpropylamino)-2H-[1,2,4]triazolo[4,3-c]pyrimidin-3-one
PubChem CID66282971
Molecular FormulaC15H17N5O
Molecular Weight283.34 g/mol
Exact Mass283.14
IUPAC Name5-methyl-7-(1-phenylpropylamino)-2H-[1,2,4]triazolo[4,3-c]pyrimidin-3-one
SMILESCCC(Nc1cc2n[nH]c(=O)n2c(C)n1)c1ccccc1
InChIInChI=1S/C15H17N5O/c1-3-12(11-7-5-4-6-8-11)17-13-9-14-18-19-15(21)20(14)10(2)16-13/h4-9,12,17H,3H2,1-2H3,(H,19,21)
InChIKeyMFVZZNKJIMVDEW-UHFFFAOYSA-N
XLogP2.29
TPSA75.08 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500283.34
LogP ≤ 52.29
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

7-[(2-amino-1-phenylethyl)amino]-5-methyl-2H-[1,2,4]triazolo[4,3-c]pyrimidin-3-one
CID 66275357
7-[1-(4-aminophenyl)ethylamino]-5-methyl-2H-[1,2,4]triazolo[4,3-c]pyrimidin-3-one
CID 66283775
7-(2-hydroxy-2-phenylethyl)-5-methyl-2H-[1,2,4]triazolo[4,3-c]pyrimidin-3-one
CID 66274471
5-methyl-7-(2-methylpropylamino)-2H-[1,2,4]triazolo[4,3-c]pyrimidin-3-one
CID 66281790
7-(1-cyclopropylethylamino)-5-methyl-2H-[1,2,4]triazolo[4,3-c]pyrimidin-3-one
CID 66283546
7-[(1-amino-4-methylpentan-2-yl)amino]-5-methyl-2H-[1,2,4]triazolo[4,3-c]pyrimidin-3-one
CID 66283189
5-methyl-7-(pyrrol-1-ylamino)-2H-[1,2,4]triazolo[4,3-c]pyrimidin-3-one
CID 79106781
7-(hexylamino)-5-methyl-2H-[1,2,4]triazolo[4,3-c]pyrimidin-3-one
CID 66281415
6-hydrazinyl-2-methyl-N-(1-phenylpropyl)pyrimidin-4-amine
CID 80908283
2-methyl-4-N-(1-phenylpropyl)pyrimidine-4,6-diamine
CID 80822605
5-methyl-7-[[2-methyl-3-(methylamino)propyl]amino]-2H-[1,2,4]triazolo[4,3-c]pyrimidin-3-one
CID 113282680
7-(3-chlorobutylamino)-5-methyl-2H-[1,2,4]triazolo[4,3-c]pyrimidin-3-one
CID 66277078

Frequently Asked Questions

What is the IUPAC name of 5-methyl-7-(1-phenylpropylamino)-2H-[1,2,4]triazolo[4,3-c]pyrimidin-3-one?
The IUPAC name of 5-methyl-7-(1-phenylpropylamino)-2H-[1,2,4]triazolo[4,3-c]pyrimidin-3-one (CID 66282971) is 5-methyl-7-(1-phenylpropylamino)-2H-[1,2,4]triazolo[4,3-c]pyrimidin-3-one.
What is the SMILES notation for 5-methyl-7-(1-phenylpropylamino)-2H-[1,2,4]triazolo[4,3-c]pyrimidin-3-one?
The canonical SMILES for 5-methyl-7-(1-phenylpropylamino)-2H-[1,2,4]triazolo[4,3-c]pyrimidin-3-one is CCC(Nc1cc2n[nH]c(=O)n2c(C)n1)c1ccccc1.
What is the InChIKey of 5-methyl-7-(1-phenylpropylamino)-2H-[1,2,4]triazolo[4,3-c]pyrimidin-3-one?
The InChIKey is MFVZZNKJIMVDEW-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H17N5O/c1-3-12(11-7-5-4-6-8-11)17-13-9-14-18-19-15(21)20(14)10(2)16-13/h4-9,12,17H,3H2,1-2H3,(H,19,21).
What are the key properties of 5-methyl-7-(1-phenylpropylamino)-2H-[1,2,4]triazolo[4,3-c]pyrimidin-3-one?
5-methyl-7-(1-phenylpropylamino)-2H-[1,2,4]triazolo[4,3-c]pyrimidin-3-one has a molecular weight of 283.34 g/mol, XLogP of 2.29, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-methyl-7-(1-phenylpropylamino)-2H-[1,2,4]triazolo[4,3-c]pyrimidin-3-one is sourced from PubChem (CID 66282971), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).