3-[(5-methyl-1H-pyrazol-4-yl)methylamino]-1-propylpyrazin-2-one

C12H17N5O — CID 62939002

IUPAC3-[(5-methyl-1H-pyrazol-4-yl)methylamino]-1-propylpyrazin-2-one
SMILESCCCn1ccnc(NCc2cn[nH]c2C)c1=O
InChIInChI=1S/C12H17N5O/c1-3-5-17-6-4-13-11(12(17)18)14-7-10-8-15-16-9(10)2/h4,6,8H,3,5,7H2,1-2H3,(H,13,14)(H,15,16)
InChIKeyXEVHKTDJBNPZBL-UHFFFAOYSA-N
MW247.30 g/mol
LogP1.30
Rot. Bonds5

About 3-[(5-methyl-1H-pyrazol-4-yl)methylamino]-1-propylpyrazin-2-one

3-[(5-methyl-1H-pyrazol-4-yl)methylamino]-1-propylpyrazin-2-one (PubChem CID 62939002) has the molecular formula C12H17N5O and a molecular weight of 247.30 g/mol. Its IUPAC name is 3-[(5-methyl-1H-pyrazol-4-yl)methylamino]-1-propylpyrazin-2-one.

Molecular Properties

Compound Name3-[(5-methyl-1H-pyrazol-4-yl)methylamino]-1-propylpyrazin-2-one
PubChem CID62939002
Molecular FormulaC12H17N5O
Molecular Weight247.30 g/mol
Exact Mass247.14
IUPAC Name3-[(5-methyl-1H-pyrazol-4-yl)methylamino]-1-propylpyrazin-2-one
SMILESCCCn1ccnc(NCc2cn[nH]c2C)c1=O
InChIInChI=1S/C12H17N5O/c1-3-5-17-6-4-13-11(12(17)18)14-7-10-8-15-16-9(10)2/h4,6,8H,3,5,7H2,1-2H3,(H,13,14)(H,15,16)
InChIKeyXEVHKTDJBNPZBL-UHFFFAOYSA-N
XLogP1.30
TPSA75.60 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500247.30
LogP ≤ 51.30
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

1-methyl-3-[(5-methyl-1H-pyrazol-4-yl)methylamino]pyrazin-2-one
CID 62940429
3-[(3-methyl-4-pyridinyl)methylamino]-1-propylpyrazin-2-one
CID 114701033
1-methyl-N-[(5-methyl-1H-pyrazol-4-yl)methyl]imidazol-2-amine
CID 62133116
3-[[4-(aminomethyl)phenyl]methylamino]-1-propylpyrazin-2-one
CID 62940846
3-[(1-methyl-1,2,4-triazol-3-yl)methylamino]-1-propylpyrazin-2-one
CID 114125963
1-propyl-3-(pyridin-3-ylmethylamino)pyrazin-2-one
CID 55155833
4-[[(3-oxo-4-propylpyrazin-2-yl)amino]methyl]-3H-1,3-thiazol-2-one
CID 114181572
3-[(6-methyl-2-pyridinyl)methylamino]-1-propylpyrazin-2-one
CID 62928286
3-[(2,5-difluorophenyl)methylamino]-1-propylpyrazin-2-one
CID 63795521
3-(3-chloropropylamino)-1-propylpyrazin-2-one
CID 65030283
3-[(5-amino-2-hydroxyphenyl)methylamino]-1-propylpyrazin-2-one
CID 62927452
3-(5-chloropentylamino)-1-propylpyrazin-2-one
CID 107320514

Frequently Asked Questions

What is the IUPAC name of 3-[(5-methyl-1H-pyrazol-4-yl)methylamino]-1-propylpyrazin-2-one?
The IUPAC name of 3-[(5-methyl-1H-pyrazol-4-yl)methylamino]-1-propylpyrazin-2-one (CID 62939002) is 3-[(5-methyl-1H-pyrazol-4-yl)methylamino]-1-propylpyrazin-2-one.
What is the SMILES notation for 3-[(5-methyl-1H-pyrazol-4-yl)methylamino]-1-propylpyrazin-2-one?
The canonical SMILES for 3-[(5-methyl-1H-pyrazol-4-yl)methylamino]-1-propylpyrazin-2-one is CCCn1ccnc(NCc2cn[nH]c2C)c1=O.
What is the InChIKey of 3-[(5-methyl-1H-pyrazol-4-yl)methylamino]-1-propylpyrazin-2-one?
The InChIKey is XEVHKTDJBNPZBL-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H17N5O/c1-3-5-17-6-4-13-11(12(17)18)14-7-10-8-15-16-9(10)2/h4,6,8H,3,5,7H2,1-2H3,(H,13,14)(H,15,16).
What are the key properties of 3-[(5-methyl-1H-pyrazol-4-yl)methylamino]-1-propylpyrazin-2-one?
3-[(5-methyl-1H-pyrazol-4-yl)methylamino]-1-propylpyrazin-2-one has a molecular weight of 247.30 g/mol, XLogP of 1.30, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(5-methyl-1H-pyrazol-4-yl)methylamino]-1-propylpyrazin-2-one is sourced from PubChem (CID 62939002), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).