1-tert-butyl-3-[(1-hydroxy-4-methylpentan-2-yl)amino]pyrazin-2-one

C14H25N3O2 — CID 62940206

IUPAC1-tert-butyl-3-[(1-hydroxy-4-methylpentan-2-yl)amino]pyrazin-2-one
SMILESCC(C)CC(CO)Nc1nccn(C(C)(C)C)c1=O
InChIInChI=1S/C14H25N3O2/c1-10(2)8-11(9-18)16-12-13(19)17(7-6-15-12)14(3,4)5/h6-7,10-11,18H,8-9H2,1-5H3,(H,15,16)
InChIKeyPASJHSZTCYMATD-UHFFFAOYSA-N
MW267.37 g/mol
LogP1.82
Rot. Bonds5

About 1-tert-butyl-3-[(1-hydroxy-4-methylpentan-2-yl)amino]pyrazin-2-one

1-tert-butyl-3-[(1-hydroxy-4-methylpentan-2-yl)amino]pyrazin-2-one (PubChem CID 62940206) has the molecular formula C14H25N3O2 and a molecular weight of 267.37 g/mol. Its IUPAC name is 1-tert-butyl-3-[(1-hydroxy-4-methylpentan-2-yl)amino]pyrazin-2-one.

Molecular Properties

Compound Name1-tert-butyl-3-[(1-hydroxy-4-methylpentan-2-yl)amino]pyrazin-2-one
PubChem CID62940206
Molecular FormulaC14H25N3O2
Molecular Weight267.37 g/mol
Exact Mass267.19
IUPAC Name1-tert-butyl-3-[(1-hydroxy-4-methylpentan-2-yl)amino]pyrazin-2-one
SMILESCC(C)CC(CO)Nc1nccn(C(C)(C)C)c1=O
InChIInChI=1S/C14H25N3O2/c1-10(2)8-11(9-18)16-12-13(19)17(7-6-15-12)14(3,4)5/h6-7,10-11,18H,8-9H2,1-5H3,(H,15,16)
InChIKeyPASJHSZTCYMATD-UHFFFAOYSA-N
XLogP1.82
TPSA67.15 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500267.37
LogP ≤ 51.82
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

2-[(4-tert-butyl-3-oxopyrazin-2-yl)amino]-4-methylpentanoic acid
CID 62939618
1-tert-butyl-3-(propan-2-ylamino)pyrazin-2-one
CID 62938769
2-[(4-tert-butyl-3-oxopyrazin-2-yl)amino]-N-ethyl-N-methylpropanamide
CID 103111313
1-tert-butyl-3-(4-methoxybutan-2-ylamino)pyrazin-2-one
CID 64604064
1-tert-butyl-3-[(4-chloro-1-methoxybutan-2-yl)amino]pyrazin-2-one
CID 114150934
5-[(4-tert-butyl-3-oxopyrazin-2-yl)amino]-2-methylpentanoic acid
CID 104683131
1-tert-butyl-3-[2-(3-methylbutoxy)ethylamino]pyrazin-2-one
CID 62928104
4-methyl-2-[(1-methylimidazol-2-yl)amino]pentan-1-ol
CID 62133297
3-[(2-amino-3-hydroxybutyl)amino]-1-tert-butylpyrazin-2-one
CID 64541943
3-(1-hydroxybutan-2-ylamino)-1-(2-methylpropyl)pyrazin-2-one
CID 62940182
3-[(4-tert-butyl-3-oxopyrazin-2-yl)amino]propanamide
CID 62940899
1-tert-butyl-3-[1-(4-chlorophenyl)ethylamino]pyrazin-2-one
CID 62940764

Frequently Asked Questions

What is the IUPAC name of 1-tert-butyl-3-[(1-hydroxy-4-methylpentan-2-yl)amino]pyrazin-2-one?
The IUPAC name of 1-tert-butyl-3-[(1-hydroxy-4-methylpentan-2-yl)amino]pyrazin-2-one (CID 62940206) is 1-tert-butyl-3-[(1-hydroxy-4-methylpentan-2-yl)amino]pyrazin-2-one.
What is the SMILES notation for 1-tert-butyl-3-[(1-hydroxy-4-methylpentan-2-yl)amino]pyrazin-2-one?
The canonical SMILES for 1-tert-butyl-3-[(1-hydroxy-4-methylpentan-2-yl)amino]pyrazin-2-one is CC(C)CC(CO)Nc1nccn(C(C)(C)C)c1=O.
What is the InChIKey of 1-tert-butyl-3-[(1-hydroxy-4-methylpentan-2-yl)amino]pyrazin-2-one?
The InChIKey is PASJHSZTCYMATD-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H25N3O2/c1-10(2)8-11(9-18)16-12-13(19)17(7-6-15-12)14(3,4)5/h6-7,10-11,18H,8-9H2,1-5H3,(H,15,16).
What are the key properties of 1-tert-butyl-3-[(1-hydroxy-4-methylpentan-2-yl)amino]pyrazin-2-one?
1-tert-butyl-3-[(1-hydroxy-4-methylpentan-2-yl)amino]pyrazin-2-one has a molecular weight of 267.37 g/mol, XLogP of 1.82, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-tert-butyl-3-[(1-hydroxy-4-methylpentan-2-yl)amino]pyrazin-2-one is sourced from PubChem (CID 62940206), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).