1-methyl-3-(1H-pyrazol-5-ylmethylamino)pyrazin-2-one

C9H11N5O — CID 62940431

IUPAC1-methyl-3-(1H-pyrazol-5-ylmethylamino)pyrazin-2-one
SMILESCn1ccnc(NCc2ccn[nH]2)c1=O
InChIInChI=1S/C9H11N5O/c1-14-5-4-10-8(9(14)15)11-6-7-2-3-12-13-7/h2-5H,6H2,1H3,(H,10,11)(H,12,13)
InChIKeyHIRMDMQCPBTADK-UHFFFAOYSA-N
MW205.22 g/mol
LogP0.12
Rot. Bonds3

About 1-methyl-3-(1H-pyrazol-5-ylmethylamino)pyrazin-2-one

1-methyl-3-(1H-pyrazol-5-ylmethylamino)pyrazin-2-one (PubChem CID 62940431) has the molecular formula C9H11N5O and a molecular weight of 205.22 g/mol. Its IUPAC name is 1-methyl-3-(1H-pyrazol-5-ylmethylamino)pyrazin-2-one.

Molecular Properties

Compound Name1-methyl-3-(1H-pyrazol-5-ylmethylamino)pyrazin-2-one
PubChem CID62940431
Molecular FormulaC9H11N5O
Molecular Weight205.22 g/mol
Exact Mass205.10
IUPAC Name1-methyl-3-(1H-pyrazol-5-ylmethylamino)pyrazin-2-one
SMILESCn1ccnc(NCc2ccn[nH]2)c1=O
InChIInChI=1S/C9H11N5O/c1-14-5-4-10-8(9(14)15)11-6-7-2-3-12-13-7/h2-5H,6H2,1H3,(H,10,11)(H,12,13)
InChIKeyHIRMDMQCPBTADK-UHFFFAOYSA-N
XLogP0.12
TPSA75.60 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500205.22
LogP ≤ 50.12
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

1-methyl-3-[[4-(1H-pyrazol-5-yl)phenyl]methylamino]pyrazin-2-one
CID 62940084
1-methyl-3-[(5-methyl-1H-pyrazol-4-yl)methylamino]pyrazin-2-one
CID 62940429
1-methyl-3-[[(2S)-4-(1H-pyrazol-5-ylmethyl)morpholin-2-yl]methylamino]pyrazin-2-one
CID 129331494
1-methyl-3-[(2-methylphenyl)methylamino]pyrazin-2-one
CID 62938866
1-methyl-3-[(5-methylfuran-2-yl)methylamino]pyrazin-2-one
CID 62940791
1-methyl-3-(thiophen-2-ylmethylamino)pyrazin-2-one
CID 62939218
4-[[(4-methyl-3-oxopyrazin-2-yl)amino]methyl]benzenesulfonamide
CID 62939908
3-[(1,3-dimethylpyrazol-4-yl)methylamino]-1-methylpyrazin-2-one
CID 112670534
3-bromo-N-(1H-pyrazol-5-ylmethyl)pyridin-2-amine
CID 61375619
3-[(2-methoxy-2-methylpropyl)amino]-1-methylpyrazin-2-one
CID 115658440
1-methyl-3-[(3-methyl-1,2-oxazol-5-yl)methylamino]pyrazin-2-one
CID 62938875
1-methyl-3-(2-methylbutylamino)pyrazin-2-one
CID 62938700

Frequently Asked Questions

What is the IUPAC name of 1-methyl-3-(1H-pyrazol-5-ylmethylamino)pyrazin-2-one?
The IUPAC name of 1-methyl-3-(1H-pyrazol-5-ylmethylamino)pyrazin-2-one (CID 62940431) is 1-methyl-3-(1H-pyrazol-5-ylmethylamino)pyrazin-2-one.
What is the SMILES notation for 1-methyl-3-(1H-pyrazol-5-ylmethylamino)pyrazin-2-one?
The canonical SMILES for 1-methyl-3-(1H-pyrazol-5-ylmethylamino)pyrazin-2-one is Cn1ccnc(NCc2ccn[nH]2)c1=O.
What is the InChIKey of 1-methyl-3-(1H-pyrazol-5-ylmethylamino)pyrazin-2-one?
The InChIKey is HIRMDMQCPBTADK-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H11N5O/c1-14-5-4-10-8(9(14)15)11-6-7-2-3-12-13-7/h2-5H,6H2,1H3,(H,10,11)(H,12,13).
What are the key properties of 1-methyl-3-(1H-pyrazol-5-ylmethylamino)pyrazin-2-one?
1-methyl-3-(1H-pyrazol-5-ylmethylamino)pyrazin-2-one has a molecular weight of 205.22 g/mol, XLogP of 0.12, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methyl-3-(1H-pyrazol-5-ylmethylamino)pyrazin-2-one is sourced from PubChem (CID 62940431), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).