3-[(1-methyl-1,2,4-triazol-3-yl)methylamino]-1-propylpyrazin-2-one

C11H16N6O — CID 114125963

IUPAC3-[(1-methyl-1,2,4-triazol-3-yl)methylamino]-1-propylpyrazin-2-one
SMILESCCCn1ccnc(NCc2ncn(C)n2)c1=O
InChIInChI=1S/C11H16N6O/c1-3-5-17-6-4-12-10(11(17)18)13-7-9-14-8-16(2)15-9/h4,6,8H,3,5,7H2,1-2H3,(H,12,13)
InChIKeyUROQCGXXURBGMX-UHFFFAOYSA-N
MW248.29 g/mol
LogP0.39
Rot. Bonds5

About 3-[(1-methyl-1,2,4-triazol-3-yl)methylamino]-1-propylpyrazin-2-one

3-[(1-methyl-1,2,4-triazol-3-yl)methylamino]-1-propylpyrazin-2-one (PubChem CID 114125963) has the molecular formula C11H16N6O and a molecular weight of 248.29 g/mol. Its IUPAC name is 3-[(1-methyl-1,2,4-triazol-3-yl)methylamino]-1-propylpyrazin-2-one.

Molecular Properties

Compound Name3-[(1-methyl-1,2,4-triazol-3-yl)methylamino]-1-propylpyrazin-2-one
PubChem CID114125963
Molecular FormulaC11H16N6O
Molecular Weight248.29 g/mol
Exact Mass248.14
IUPAC Name3-[(1-methyl-1,2,4-triazol-3-yl)methylamino]-1-propylpyrazin-2-one
SMILESCCCn1ccnc(NCc2ncn(C)n2)c1=O
InChIInChI=1S/C11H16N6O/c1-3-5-17-6-4-12-10(11(17)18)13-7-9-14-8-16(2)15-9/h4,6,8H,3,5,7H2,1-2H3,(H,12,13)
InChIKeyUROQCGXXURBGMX-UHFFFAOYSA-N
XLogP0.39
TPSA77.63 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500248.29
LogP ≤ 50.39
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Related Compounds

3-[[4-(aminomethyl)phenyl]methylamino]-1-propylpyrazin-2-one
CID 62940846
3-(3-chloropropylamino)-1-propylpyrazin-2-one
CID 65030283
1-propyl-3-(pyridin-3-ylmethylamino)pyrazin-2-one
CID 55155833
3-[(5-methyl-1H-pyrazol-4-yl)methylamino]-1-propylpyrazin-2-one
CID 62939002
4-[[(3-oxo-4-propylpyrazin-2-yl)amino]methyl]-3H-1,3-thiazol-2-one
CID 114181572
3-[(3-methyl-4-pyridinyl)methylamino]-1-propylpyrazin-2-one
CID 114701033
3-[(6-methyl-2-pyridinyl)methylamino]-1-propylpyrazin-2-one
CID 62928286
3-[(2,5-difluorophenyl)methylamino]-1-propylpyrazin-2-one
CID 63795521
3-(5-chloropentylamino)-1-propylpyrazin-2-one
CID 107320514
3-[(3-chlorophenyl)methylamino]-1-propylpyrazin-2-one
CID 62928989
3-[(2,3-dihydroxy-2-methylpropyl)amino]-1-propylpyrazin-2-one
CID 66168864
3-[(5-amino-2-hydroxyphenyl)methylamino]-1-propylpyrazin-2-one
CID 62927452

Frequently Asked Questions

What is the IUPAC name of 3-[(1-methyl-1,2,4-triazol-3-yl)methylamino]-1-propylpyrazin-2-one?
The IUPAC name of 3-[(1-methyl-1,2,4-triazol-3-yl)methylamino]-1-propylpyrazin-2-one (CID 114125963) is 3-[(1-methyl-1,2,4-triazol-3-yl)methylamino]-1-propylpyrazin-2-one.
What is the SMILES notation for 3-[(1-methyl-1,2,4-triazol-3-yl)methylamino]-1-propylpyrazin-2-one?
The canonical SMILES for 3-[(1-methyl-1,2,4-triazol-3-yl)methylamino]-1-propylpyrazin-2-one is CCCn1ccnc(NCc2ncn(C)n2)c1=O.
What is the InChIKey of 3-[(1-methyl-1,2,4-triazol-3-yl)methylamino]-1-propylpyrazin-2-one?
The InChIKey is UROQCGXXURBGMX-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H16N6O/c1-3-5-17-6-4-12-10(11(17)18)13-7-9-14-8-16(2)15-9/h4,6,8H,3,5,7H2,1-2H3,(H,12,13).
What are the key properties of 3-[(1-methyl-1,2,4-triazol-3-yl)methylamino]-1-propylpyrazin-2-one?
3-[(1-methyl-1,2,4-triazol-3-yl)methylamino]-1-propylpyrazin-2-one has a molecular weight of 248.29 g/mol, XLogP of 0.39, 5 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(1-methyl-1,2,4-triazol-3-yl)methylamino]-1-propylpyrazin-2-one is sourced from PubChem (CID 114125963), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).